Day: June 18, 2021

Application of 81606-79-3, New Advances in Chemical Research in 2021.Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, 81606-79-3, name is 2-(1,2,4-Triazol-1-yl)acetonitrile, molecular formula is C4H4N4, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

Step 1To a 50 ml three necked round bottom flask, 4-(7-pivaloyl-5-((2-(trimethylsilyl)ethoxy)- methyl)-5H-pyrrolo[2,3-b]pyrazine-2-ylamino)benzaldehyde (O.lg, 0.22 mmole) and 2-(lH- l,2,4-triazol-l-yl)acetonitrile(0.0716g, 0.66 mmole) was taken in ethanol (5 mL). To this reaction mixture, piperidine (0.2 mL) was added drop wise at RT. After completion of the addition, the reaction mass was refluxed for 16 hrs and the completion of the reaction was monitored on TLC using ethyl acetate: hexane (5:5) as a mobile phase. After completion of the reaction, ethanol was distilled out and water was added to residue. Aqeous was extracted with ethyl acetate, organic layers were combined, dried over Na2S04, filtered and concentrated to afford crude product. The crude compound was purified using column purification by eluting the compound with 40% ethyl acetate in hexanes triturated with n-pentane, pentane layer was decanted and solid was dried under vacuum to yield 0.052 g of 3-(4-(7-pivaloyl-5-((2- (trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazin-2-ylamino)phenyl)-2-(lH-l,2,4-triazol- 1 -yl)acrylonitrile.

I am very proud of our efforts over the past few months and hope to 2-(1,2,4-Triazol-1-yl)acetonitrile help many people in the next few years.

Reference:
Patent; PRINCIPIA BIOPHARMA INC.; GOLDSTEIN, David Michael; BRAMELD, Kenneth Albert; VERNER, Erik; WO2012/158785; (2012); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

New discoveries in chemical research and development in 2021. Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. 202931-88-2, name is 1-Methyl-1H-1,2,3-triazole-5-carbaldehyde belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. HPLC of Formula: C4H5N3O

A solution of n-butyllithium in hexanes (1.6 M, 0.71 mE, 1.1 mmol) was added dropwise to a stirring solution of 3-(4-(i R-pyrazol- 1 -yl)benzyl)-6-bromo-4-chloro-2-meth- oxyquinoline (490 mg, 1.1 mmol, Intermediate 4: step d) in tetrahydrofuran (ii mE) at -78C. Afier 2 minutes, a solution of i-methyl-i R-i ,2,3-triazole-5-carbaldehyde (140 mg, 1.1 mmol, Intermediate 18) in tetrahydrofuran (1 mE) was added dropwise. After 5 minutes, the flask was placed into an ice- water bath. Afier 1 hour, water (10 mE) and ethyl acetate (60 mE) were added. The biphasic mixture was stirred for 10 minutes. Ralf-saturated aqueous sodium chloride solution (50 mE) was added and the layers were separated. The organic layer was dried with sodium sulfate and the dried solution was filtered. Silica gel (4 g) was added to the filtrate and the mixture was concentrated by rotary evaporation to afford a free-flowing powder. The powder was loaded onto a silica gel column for flash column chromatography purification. Elution with 100% hexanes initially, grading to 100% ethyl acetate provided the title compound as a white foamwhich was impure. The foam was suspended in methanol (20 mE) and the suspension was sonicated for 5 minutes. The solids were collected by filtration and rinsed with methanol (5 mE). The collected solids were dried to provide the title compound as a white solid. ?H NMR (600 MHz, DMSO-d5) oeppm 8.42 (d, J=2.5 Hz, 1H), 8.21 (d, J=i.8 Hz, 1H), 7.86 (d, J=8.6 Hz, 1H), 7.75-7.71 (m, 2H), 7.72-7.67 (m, 2H), 7.37- 7.32 (m, 3H), 6.55 (d, J=5.2 Hz, 1H), 6.53-6.49 (m, 1H), 6.22 (d, J=5.2 Hz, 1H), 4.30 (s, 2H), 4.04 (s, 3H), 3.97 (s, 3H); MS (ESI): mass calcd. for C24H2,C1N602, 460.1; mlz found, 461.1 [M+H].

If you are hungry for even more, make sure to check my other article about 202931-88-2, the application of this compound in the production field has become more and more popular.

Reference:
Patent; JANSSEN PHARMACEUTICA NV; LEONARD, KRISTI A.; BARBAY, KENT; EDWARDS, JAMES P.; KREUTTER, KEVIN D.; KUMMER, DAVID A.; MAHAROOF, UMAR; NISHIMURA, RACHEL; URBANSKI, MAUD; VENKATESAN, HARIHARAN; WANG, AIHUA; WOLIN, RONALD L.; WOODS, CRAIG R.; FOURIE, ANNE; XUE, XIAOHUA; CUMMINGS, MAXWELL D.; US2015/105372; (2015); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

New discoveries in chemical research and development in 2021. The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 41253-21-8, name is Sodium 1,2,4-triazol-1-ide belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. Safety of Sodium 1,2,4-triazol-1-ide

A mixture of 2,3-difluorobenzylnitrile (2.27 g, 16.3 mmol) and triazole sodium salt (1.33 g, 14.8 mmol) in tetrahydrofuran (5 mL) and dimethylformamide (10 mL) was stirred at 85 C. for 4 h. After concentration, the residue was purified by flash chromatography (SiO2) eluting with 25%-50% ethyl acetate/hexane. The isolated product was recrystallized from hot ethyl acetate/hexane to give the title compound as white needles (1.51 g, 54% yield). 1H-NMR (500 MHz, CDCl3) ? ppm: 8.50 (1H, d, J=2.4 Hz), 8.25 (1H, s), 7.69-7.67 (1H, m), 7.60-7.57 (2H, m). LCMS [M+H]+ calcd for C9H6N4F: 189.16; found: 189.14.

If you are hungry for even more, make sure to check my other article about 41253-21-8, the application of this compound in the production field has become more and more popular.

Reference:
Patent; Naidu, B. Narasimhulu; Banville, Jacques; Beaulieu, Francis; Connolly, Timothy P.; Krystal, Mark R.; Matiskella, John D.; Ouellet, Carl; Plamondon, Serge; Remillard, Roger; Sorenson, Margaret E.; Ueda, Yasutsugu; Walker, Michael A.; US2005/267105; (2005); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

New discoveries in chemical research and development in 2021. The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 4928-88-5, name is Methyl 1H-1,2,4-triazole-3-carboxylate belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. COA of Formula: C4H5N3O2

EXAMPLE 1 A mixture of methyl 1,2,4-triazole-3-carboxylate (26.4 g, 0.21 mole) and beta-D-ribofuranosyl-1,2,3,5-tetraacetate (60.2 g, 0.19 mole) was melted and then 1.1 g of p-toluenesulfonic acid was added thereto. The reaction mixture was reacted for 6 hours, while maintaining the temperature of the reaction mixture at 85+-5° C. And then, the reaction mixture was crystallized with 300.8 ml of methanol to give 57.9 g of 1-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-1,2,4-triazole-3-carboxylic acid methyl ester (yield: 78.9percent). NMR (CDCl3) delta (ppm): 2.12(t, 9H), 3.99(s, 3H), 4.25(m, 1H), 4.48(m, 2H), 5.57(t, 1H), 5.76(q, 1H), 6.07(d, 1H), 8.44(s, 1H)

If you are hungry for even more, make sure to check my other article about 4928-88-5, the application of this compound in the production field has become more and more popular.

Reference:
Patent; Lee, Tai-Au; Park, Nam-Jin; Khoo, Ja-Heouk; Lee, Byung-Cheol; US2003/120064; (2003); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Research speed reading in 2021. The prevalence of solvent effects in heterogeneous catalysis in condensed media has motivated developing quantitative kinetic. 135302-13-5, name is 3-Methoxy-4-methyl-1H-1,2,4-triazol-5(4H)-one belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. COA of Formula: C4H7N3O2

EXAMPLE 1 STR24 A mixture of 1.3 g (0.01 mol) of 5-methoxy-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 0.1 g of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU), 1.0 g (0.01 mol) of tertbutyl isocyanate and 50 ml of acetonitrile is stirred for 12 hours at 20 C. and subsequently concentrated under a water pump vacuum. The residue is taken up in methylene chloride, and the mixture is washed with water, dried with magnesium sulphate and filtered. The filtrate is concentrated under a water pump vacuum, the residue is brought to crystallisation by trituration with petroleum ether, and the product is isolated by filtration with suction. 1.4 g (61% Of theory) of 2-tert-butyl-amino-carbonyl-5-methoxy-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one of melting point 167 C. are obtained.

In conclusion, we affirm that quantitative kinetic descriptions of catalytic behavior continue to serve as an indispensable tool to navigate research efforts intended to model. Read on for other articles about 135302-13-5.

Reference:
Patent; Bayer Aktiengesellschaft; US5356865; (1994); A;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Research speed reading in 2021. In classical electrochemical theory, both the electron transfer rate and the adsorption of reactants at the electrode control the electrochemical reaction. 7343-33-1, name is 5-Bromo-1H-1,2,4-triazole belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. Computed Properties of C2H2BrN3

A solution of Intermediate 28 (250 mg, 0.397 mmol) in dichloroethane (4 mL) was treated with 3-bromo-iH-1,2,4-triazole (294 mg, 1.98 mmol) then BF3OEt;? (0.503 mL, 3.97 mmol) and this mixture was heated to 55°C under nitrogen. After 1 hour the reaction was cooled to room temperature then concentrated in vacuo. The crude product mixture was suspended in methanol (3 mL) and filtered through a sintered glass funnel. The filtrate was purified by preparative EtaPLC (19 x 100 mm Waters Sunfire column, 5 mum, UV-detection, 30-100percentMeCN/water with 0.05percent TFA over 20 minutes). The fractions containing the clesired product (major regioisomer) were combined and partially concentrated by rotovap then frozen and lyophilized to give the title compound (80 mg) was a white amorphous solid.1H NMR (CD3OD, 500 MHz, ppm) delta 0.78 (s, 3H), 0.79 (d, 3H, partially obscured), 0.87 (d, J=6.6 Hz, 3H), 0.91 (d, 3H, partially obscured), 0.92 (s, 3H), 1.15 (s, 3H), 1.22 (s, 3H), 1.23 -1.98 (m), 2.14 (m, 1H), 2.20 (m, 1H), 2.31 (dd, J=13.5, 6.4 Hz, 1H), 2.45 (s, 3H), 2.85 (s, 1H),2.91 (m, 1H), 3.32-3.35 ( m, 1H, partially obscured), 3.37 ( d, J=I 1.2 Hz, 1H), 3.53 (d, 1H, partially obscured), 3.56 (dd, 1H, partially obscured), 3.60 (m, 1H, partially obscured), 3.67 (m, 1H,), 3.80 (m, 1H, partially obscured), 3.82(d, 1H, partially obscured), 3.90(d, J=12.2 Hz, 1H), 4.09 (d, J=9.8 Hz, 1H), 5.49 (m, 1H), 5.76 (m, 1H), 8.14 (s, 1H). Mass spectrum: (ESI) m/z = 147 AS (M+H).

Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 7343-33-1, and we look forward to future research findings.

Reference:
Patent; MERCK SHARP & DOHME CORP.; SCYNEXIS, INC.; GREENLEE, Mark, L.; WILKENING, Robert; APGAR, James; SPERBECK, Donald; WILDONGER, Kenneth, James; MENG, Dongfang; PARKER, Dann, L.; PACOFSKY, Gregory, James; HEASLEY, Brian, Haid; MAMAI, Ahmed; NELSON, Kingsley; WO2010/19204; (2010); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

New discoveries in chemical research and development in 2021. The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. 10570-40-8, name is 4-Methyl-4H-1,2,4-triazole belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. HPLC of Formula: C3H5N3

A solution of 4-methyl-1,2,4-triazole (1:08 g, 13 mmol) and DNPH (2:60 g, 13 mmol) in CH2Cl2 (20 mL) was stirred at 20 C for 4 d. The product precipitated and was collected by filtration, washed with CH2Cl2 (5 mL) and Et2O (5 mL), and dried to yield 2.45 g (67%) of a yellow powder. – 1H NMR (300 MHz, [D6]DMSO): delta = 3:84 (s, 3H), 6.32 (d, J =9:7 Hz, 1H), 7.41 (s, 2H), 7.77 (dd, J = 9.7 Hz, J = 3.1 Hz, 1H), 8.59 (d, J = 3.1 Hz, 1H), 8.98 (s, 1H), 9.98 ppm. – 13C NMR (75 MHz, [D6]DMSO): delta = 34:1, 125.0, 126.5, 127.4, 136.0, 140.7, 143.4, 170:3 ppm. – IR (neat): nu = 3294 w, 3236 w, 3081 m, 2988 m, 1595 s, 1550 m, 1525 s, 1475 m, 1431 m, 1371 m, 1307 s, 1258 s, 1175 m, 1128 s, 983 m, 834 s, 710 m, 654 m, 618 s cm-1. – C9H10N6O5 (282.21): calcd. C 38.30, H 3.57, N 29.78; found C 38.28, H 3.42, N 29.40.

We’ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, the role of 4-Methyl-4H-1,2,4-triazole ,and how the biochemistry of the body works.

Reference:
Article; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Zeitschrift fur Naturforschung – Section B Journal of Chemical Sciences; vol. 69; 9-10; (2014); p. 950 – 964;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Research speed reading in 2021. The prevalence of solvent effects in heterogeneous catalysis in condensed media has motivated developing quantitative kinetic. 60166-43-0, name is 1,4-Dimethyl-1H-1,2,3-triazole belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. Recommanded Product: 60166-43-0

(S)-3-bromo-7-(methylsulfonyl)-5-(phenyl(tetrahydro-2H-pyran-4-yl)methyl)-5H- pyrrolo[2,3-b:4,5-b’]dipyridine (30 mg, 0.060 mmol) was dissolved in 1.5 mL of NMP and added l,4-dimethyl-lH-l,2,3-triazole (9.3 mg, 0.096 mmol). Tetramethylammonium acetate (12.0 mg, 0.090 mmol) and bis(triphenylphosphine)palladium(II) chloride (3.0 mg, 4.20 muetaiotaomicron) were added. Argon was bubbled through the mixture while sonicating for 5 min. The vial was capped and heated at 100 C for 33 h, then cooled and the contents of the vial were filtered. The crude material was purified via preparative LC/MS with the following conditions: Column: XBridge CI 8, 19 x 200 mm, 5-muiotatauiota particles;Mobile Phase A: 5:95 methanol: water with 10-mM NH4OAC; Mobile Phase B: 95:5 methanol: water with 10-mM ammoniumacetate; Gradient: 45-85% B over 15 min, then a 5-min hold at 100% B; Flow: 20 mL/min. Fractions containing the desired product were combined and dried via centrifugal evaporation. The yield of the product was 2.8 mg (9%), and its estimated purity by LCMS analysis was 100%. Two analytical LC/MS injections were used to determine the final purity. Injection 1 conditions: Column: Waters BEH CI 8, 2.0 x 50 mm, 1.7-muiotaeta particles; Mobile Phase A: 5:95 ACN:water with 10 mM Nl UOAc; Mobile Phase B: 95:5 ACN:water with 10 mM NH4OAc; Temperature: 50 C; Gradient: 0%B, 0-100% B over 3 min, then a 0.5-min hold at 100% B; Flow: 1 mL/min; Detection: UV at 220 nm. RT = 2.27, M+H = 517. Injection 2 conditions: Column: Waters BEH C18, 2.0 x 50 mm, 1.7-mupiiota particles; Mobile Phase A: 5:95 methanol: water with 10 mM NEUOAc; Mobile Phase B: 95:5 methanol: water with 10 mM NlrUOAc; Temperature: 50 C; Gradient: 0%B, 0-100% B over 3 min, then a 0.5-min hold at 100% B; Flow: 0.5 mL/min; Detection: UV at 220 nm. RT = 2.27, M+H = 517. NMR (500MHz, DMSO- de) delta 8.96 (d, J=8.1 Hz, 1H), 8.76 (s, 2H), 8.05 (d, J=8.1 Hz, 1H), 7.83 (d, J=7.7 Hz, 2H), 7.33 (t, J=7.5 Hz, 2H), 7.26 (t, J=7.3 Hz, 1H), 5.93 (br. s., 1H), 4.07 (s, 3H), 3.95 – 3.83 (m, 1H), 3.82 – 3.60 (m, 2H), 3.47 – 3.36 (m, 1H), 3.31 – 3.19 (m, 1H), 2.34 (s, 3H), 1.59 – 1.49 (m, 1H), 1.49 – 1.38 (m, 1H), 1.38 – 1.22 (m, 1H), 1.16 (d, J=12.1 Hz, 1H).

In conclusion, we affirm that quantitative kinetic descriptions of catalytic behavior continue to serve as an indispensable tool to navigate research efforts intended to model. Read on for other articles about 60166-43-0.

Reference:
Patent; BRISTOL-MYERS SQUIBB COMPANY; NORRIS, Derek J.; VACCARO, Wayne; DEBENEDETTO, Mikkel V.; DEGNAN, Andrew P.; DELUCCA, George V.; DESKUS, Jeffrey A.; HAN, Wen-Ching; KUMI, Godwin Kwame; SCHMITZ, William D.; STARRETT, John E., JR.; HILL, Matthew D.; HUANG, Hong; (563 pag.)WO2016/183118; (2016); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Electric Literature of 22300-52-3, New discoveries in chemical research and development in 2021. We’ll be discussing some of the latest developments in chemical about CAS: 22300-52-3, name is 4,5-Dibromo-2H-1,2,3-triazole, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

Step 2. tert-butyl 4-(4,5-dibromo-2H-l,2,3-triazol-2-yl)piperidine-l-carboxylate and tert-butyl 4-(4,5-dibromo-lH-l,2,3-triazol-l-yl)piperidine-l-carboxylate [0261] A mixture of 4,5-dibromo-2H-l,2,3-triazole (2.27 g, 10.08 mmol), tert-butyl 4- (methylsulfonyloxy)piperidine-l -carboxylate (2.79 g, 10.00 mmol), and cesium carbonate (9.75 g, 29.91 mmol) in N,N-dimethylformamide (50 mL) stirred overnight at 100 °C. The reaction mixture was cooled to room temperature, poured into water (100 mL) and extracted with ethyl acetate (2 x 100 mL). The combined organic layers were washed with brine (100 mL), dried over anhydrous sodium sulfate, filtered, and concentrated to afford a mixture of tert-butyl 4-(4,5-dibromo-2H- 1 ,2,3- triazol-2-yl)piperidine- 1 -carboxylate and tert-butyl 4-(4,5-dibromo- 1 H- 1 ,2,3-triazol- 1 -yl)piperidine- 1-carboxylate (4.00 g, 97percent) as a yellow oil. MS (ESI, pos. ion) m/z 411 , 409, 413 [M+H]+.

The potential utility of systematic synthetic strategy will be applicable to efficient generations of chemical libraries of compounds to find ‘hit’ molecules.Read on for other articles about 4,5-Dibromo-2H-1,2,3-triazole, hurry up and to see.

Reference:
Patent; BAIR, Kenneth W.; HERBERTZ, Torsten; KAUFFMAN, Goss Stryker; KAYSER-BRICKER, Katherine J.; LUKE, George P.; MARTIN, Matthew W.; MILLAN, David S.; SCHILLER, Shawn E. R.; TALBOT, Adam C.; WO2015/74064; (2015); A2;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Research speed reading in 2021. The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 7170-01-6, name is 3-Methyl-1H-1,2,4-triazole belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. HPLC of Formula: C3H5N3

2-(5-Bromo-1-methyl-1H-imidazol-2-yl)-6-chloro-3-(ethylsulfonyl)pyridine (200 mg, 0.55 mmol, 1.0 eq) was dissolved in 42 dimethylformamide (5 ml), and 50% 41 sodium hydride (32 mg, 0.66 mmol, 1.1 eq) was added. Subsequently, the mixture was cooled to 0 C. 70 3-methyl-1H-1,2,4-triazole (50 mg, 0.61 mmol, 1.1 eq) was added thereto, and then stirred overnight at room temperature. The aforementioned reaction solution was added to a saturated aqueous solution of 48 sodium hydrogen carbonate, and extraction with ethyl acetate was carried out. The obtained organic layer was washed with water and a saturated aqueous solution of 24 sodium chloride, dried over anhydrous magnesium sulfate, and filtered. The filtrate was concentrated under reduced pressure, and the obtained residue was purified by column chromatography with silica gel. Thereby, the objective 71 product was obtained in an amount of 91 mg (yield 40%).1H-NMR of the obtained objective product is shown below. 1H-NMR (400 MHz, CDCl3) delta: 9.04 (1H, s), 8.61 (1H, d), 8.07 (1H, d), 7.17 (1H, s), 3.84 (2H, q), 3.65 (3H, s), 2.53 (3H, s), 1.35 (3H, t).

The catalyzed pathway has a lower Ea, but the net change in energy that results from the reaction is not affected by the presence of a catalyst. In my other articles, you can also check out more blogs about 7170-01-6

Reference:
Patent; Nippon Soda Co., Ltd.; SAKANISHI, Keita; IWASA, Takao; AOYAMA, Hikaru; SAKIYAMA, Norifumi; USHIJIMA, Daisuke; MATSUI, Maki; KOBAYASHI, Tomomi; US2019/185459; (2019); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics