Day: June 10, 2021

Related Products of 63666-11-5, 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, 63666-11-5, name is Ethyl 5-amino-4H-[1,2,4]triazole-3-carboxylate, molecular formula is C5H8N4O2, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

A suspension of ethyl 5-amino-lH-l,2,4-triazole-3-carboxylate in acetic anhydride was refluxed for 30 min. Excess acetic anhydride was evaporated. Water was added to the residue and the mixture was stirred overnight. The colourless product was filtered off, washed with water and dried to obtain 0.134 g (53% yield) of the product. 1H-NMR (40 MHz, DMSO-d6): 1.35 (3H. t. OCH2CH3), 2.12 (3H, s, COC), 4.3 (2H, q, OCH2CH3), 11.71 (1H, s, NHCO), 13.74 (1H, s, NH-triazole)

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 Ethyl 5-amino-4H-[1,2,4]triazole-3-carboxylate, hurry up and to see.

Reference:
Patent; 4SC DISCOVERY GMBH; LEBAN, Johann; ZAJA, Mirko; WO2014/1464; (2014); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Related Products of 135242-93-2, New Advances in Chemical Research 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. 135242-93-2, name is (1-Methyl-1H-[1,2,4]triazol-3-yl)methanol, molecular formula is C4H7N3O, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

To a mixture of (1-methyl-1H-1,2,4-triazol-3-yl)methanol (400 mg, 3.54 mmol) and iodobenzene diacetate (1.25 g, 3.89 mmol) in dichloromethane (10 mL) was added TEMPO ((2,2,6,6-tetramethylpiperidin-1-yl)oxyl) (56 mg, 354 mumol. The mixture was stirred at 15-20 C. for 2h. The mixture was concentrated in vacuo. The residue was purified by silica gel chromatography (petroleum ether:ethyl acetate=1:2) to give 1-methyl-1H-1,2,4-triazole-3-carbaldehyde.

By the way, if you are interested in learning more fun chemistry with your kids, get your hands into one chemistry set now, and start enjoying the best part of chemistry: experiments about (1-Methyl-1H-[1,2,4]triazol-3-yl)methanol.

Reference:
Patent; H. Lundbeck A/S; Kehler, Jan; Rasmussen, Lars Kyhn; Langgard, Morten; Jessing, Mikkel; Vital, Paulo Jorge Vieira; Juhl, Karsten; Marigo, Mauro; (63 pag.)US2018/179200; (2018); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Synthetic Route of 3179-31-5, New Advances in Chemical Research in 2021. As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 3179-31-5, name is 1H-1,2,4-Triazole-3-thiol, molecular formula is C2H3N3S, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

Step B–Cyclopentylmethyl 1,2,4-Triazol-3-yl Sulfide 1,2,4-Triazole-3-thiol (49.0 g; 0.484 mol) and 86% potassium hydroxide (32.0 g; 0.484 mol) were dissolved in methanol (500 ml) and refluxed for 1 h. The solution was then evaporated to dryness, and the residue redissolved in methanol (500 ml). Cyclopentylmethyl methanesulfonate (86.0 g; 0.484 mol) was added, the solution stirred under reflux for 8 h, and at room temperature overnight. The solution was evaporated and the residue dissolved in ether (500 ml) and water (1 1). The aqueous layer was separated and extracted with another portion of ether (500 ml). The ether solutions were combined, washed with saturated brine (500 ml), dried (MgSO4), filtered and evaporated, to afford cyclopentylmethyl 1,2,4-triazol-3-yl sulfide (85.0 g; 96%) as a waxy, white solid. NMR – d(CDCl3; 60 MHz) 1.0-2.4 (10H, m), 3.2 (2H, d, J=7 Hz), 8.1 (1H, s) and 13.4 (1H, br s).

The result showed that such a combination of chemo- and biocatalysis improved the catalytic yield more than two times compared with that of sole metal catalysis.I hope my blog about 1H-1,2,4-Triazole-3-thiol is helpful to your research.

Reference:
Patent; Rohm and Haas Company; US5308830; (1994); A;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Synthetic Route of 16681-65-5, New Advances in Chemical Research in 2021. The appropriate choice of redox mediator can avoid electrode passivation and overpotential, which strongly inhibit the efficient activation of substrates in electrolysis. 16681-65-5, name is 1-Methyl-1H-1,2,3-triazole, molecular formula is C3H5N3, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

Example 19a: (3-(4-(1H-pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)(1-methyl-1H-1,2,3-triazol-5-yl)methanol A solution of w-butyllithium in hexanes (2.5 M, 0.32 mL, 0.81 nimol) was added dropwise to a stirring solution of 1 -methyl- 1H- 1 ,2,3-triazole (70.4 mg, 0.848 nimol, prepared according to PCX Int. AppL, 2008098104) in tetrahydrofuran (1 mL) at -50 C. After 20 minutes, a solution (gently warmed with a heat, gun to dissolve the ketone starting material) of (3-(4-(lH-pyrazol-l – yl)benzyl)-4-chk>ro~2-methoxyquinolin-6-yl)(l,2-dimethyl-l H- (200 mg, 0.42 mmol, Intermediate 21 : step b) in tetrahydrofuran (1 mL) was added dropwise. After 5 minutes, the flask was allowed to warm to 23 C. After 20 minutes, water (1 mL) was added. The biphasic mixture was partitioned between saturated aqueous sodium chloride solution (25 mL) and ethyl acetate (50 mL). The layers were separated and the organic layer was dried with sodium sulfate. The dried solution was filtered. Silica gel (2 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 dichloro methane initially, grading to 10% methanol-dichloromethane provided the title compound which was further purified by RP-HPLC eluting initially with 5% acetonitrile-water (containing 0,05% trifluoroacetic acid), grading to 95% acetonitrile-water (containing 0.05% trifluoroacetic acid) to provide the title compound as a white solid after partitioning the purified material between dichioromethane-saturated aqueous sodium bicarbonate solution, separating the layers, drying the organic layer with sodium sulfate, filtering the dried solution, and concentrating the filtrate to dryness.lH NMR (400 MHz, CDC13) delta ppm 8.21 (s, IH), 7.85 (d, J = 2.4 Hz, I H), 7.74 (d, J = 8.8 Hz, 1H), 7.67 (d, J = 1.7 Hz, 1H), 7.60 – 7.53 (m, 2H), 7.41 – 7.33 (m, 3H), 7.11 (d, J = 1.4 Hz, IH), 6.46 – 6.39 (m, I H), 6.08 – 6.02 (m, IH), 4,27 (s, 2H), 4.08 (s, 3H), 3.89 (s, 3H), 3.35 (s, 3H), 2.20 (s, 3H); MS (ESI): mass calcd. for C29H27CIN8O2, 554.2; ni/z found, 555.2 j VI · Pi | .(3-(4-(]J/-P Tazol-l-yl)benzyl)-4-cMyl)(l-methyl-lH-l ,2,3-triazo3-5-yl)methanol was purified by chiral SFC (Chiralpak AD-H, 5 muetaiota, 250 x 20 mm, mobile phase: 55% CO2, 45% methanol containing 0.03% isopropylamine) to provide two enantiomers. The first eluting enantiomer was Example 19b: NMR (500 MHz, CDC3) delta ppm 8.17 (d, ./ 2.2 Hz, 1 H), 7.88 – 7.84 (m, 1H), 7.78 (d, ./ 8.7 Hz, 1 H), 7.70 – 7.66 (m, 1H), 7.61 – 7.55 (m, 2H), 7.41 – 7.34 (m, 3H), 7.18 (s, 1 H), 6.47 – 6.39 (m, 1H), 6.16 (s, 5 H), 4.32 (s, 2H), 4.10 (s, 31 1). 3.92 (s, 3H), 3.40 (s. 3H), 2.33 (s, 3H); MS { LSI}: mass calcd. for C29H27C3N8O2, 554.2; m/z found, 555.5 [M+H] and the second eluting enantiomer was Example 19c:JH NMR (500 MHz, CDCI3) delta ppm 8.18 (d, J 2.2 Hz, 1H), 7.85 (d, J = 2.5 Hz, I I I). 7.76 id. ./ = 8.8 Hz, 1 1 1). 7.68 (d, ./ = 1.7 Hz, I H), 7.61 – 7.55 (m, 2H), 7.42 – 7.34 (m, 31 1). 7.17 (s, IH), 6.43 (t, ./ 2.1 Hz, }. 6.13 (s, }. 4.31 (s. 2H), 4.10 (s. 3H), 3.91 (s, 3H), 3.39 (s, 3H), 2.31 (s, 3H); MS (ESI): mass calcd. for C29H27CIN8O2, 554.2; m/z found, 555.5 [M+H]+.

We very much hope you enjoy reading the articles and that you will join us to present your own research about 16681-65-5, Happy reading!

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.; JONES, William Moore; GOLDBERG, Steven; WO2015/57205; (2015); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Electric Literature of 626248-56-4, New Advances in Chemical Research in 2021. As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 626248-56-4, name is 3-(2H-1,2,3-Triazol-2-yl)aniline, molecular formula is C8H8N4, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

A mixture of tert-butyl (1S,2R)-2-(5-bromo-6-cyanopyridin-3-ylamino)cyclohexylcarbamate (90 mg, 0.227 mmol), 3-(2H-1,2,3-triazol-2-yl)aniline (40 mg, 0.250 mmol), NaOPh trihydrate (50 mg, 0.294 mmol), xantphos (30 rng, 0.051 mmol) and Pd2dba3 (18 mg, 0.019 mmol) in dioxane (3 mL) was degassed with Ar, then was stirred at 110 C for 20 h. Water and EtOAc were added. Organic phase was separated, washed with aq. 1N NaOH, dried over Na2SO4, concentrated in vacuo to give tert-butyl (1S,2R)-2-(5-(3-(2H-1,2,3-triazol-2-yl)phenylamino)-6-cyanopyridin-3-ylarnino)cyclohexylcarbamate, which was then dissolved in trifluoroacetic acid (5 mL). The solution was allowed to stand for 2 h. Excess of trifluoroacetic acid was removed in vacuo. The residue was purified by HPLC to give 3-(3-(2H-1,2,3-triazolyl)phenylamino)-5-((1R,2S)-2-aminocyclohexy]amino)picolinonitrile (70 mg).

Future efforts will undeniably focus on the diversification of the new catalytic transformations. These may comprise an expansion of the substrate scope from aromatic and heteroaromatic compounds to other hydrocarbons. Keep reading other articles of 626248-56-4.

Reference:
Patent; PORTOLA PHARMACEUTICALS, INC.; SONG, Yonghong; XU, Qing; SRAN, Arvinder; BAUER, Shawn M.; JIA, Zhaozhong J.; KANE, Brian; PANDEY, Anjali; WO2013/192046; (2013); A2;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Related Products of 1338226-21-3, New Advances in Chemical Research in 2021.In classical electrochemical theory, both the electron transfer rate and the adsorption of reactants at the electrode control the electrochemical reaction. 1338226-21-3, name is 3-(Chloromethyl)-4-methyl-1H-1,2,4-triazol-5(4H)-one, molecular formula is C4H6ClN3O, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

To a 75L flask was charged a 9.63wt% solution of 3-(chloromethyl)-4-methyl-lH-l,2,4-triazol-5(4H)-one in NMP (1 1.6 kg, 7.55 mol), 3 -chloro-5 -((2-oxo-4-(trifluoromethyl)- 1 ,2-dihydropyridin-3 -yl)oxy)benzonitrile (2.00 kg, 6.29 mol), NMP (3.8 L) and 2-methyl-2-butanol (6.0 L). To the resulting suspension was slowly added N,N-diisopropylethylamine (4.38 L, 25.2 mol) over 4h. The reaction was aged 18h at ambient temperature. The reaction is considered complete when HPLC indicates <1% 3 -chloro-5 -((2-oxo-4-(trifluoromethyl)-l,2-dihydropyridin-3-yl)oxy)benzonitrile remaining. The tan solution was quenched with acetic acid (1.26 L, 22.0 mol) and aged at ambient temperature overnight. The tan solution was warmed to 70 C. Water (2.52 L) was added and the batch was seed with anhydrate Form II (134 g). The thin suspension was aged lh at 70 C. Additional water (14.3 L) was added evenly over 7 h. The slurry was aged 2h at 70 C and then slowly cooled to 20 C over 5 h. The slurry was filtered and washed with 2 : 1 NMP/water (6 L), followed by water washes (6 L x 2). The filter cake was dried over a 2 sweep to give 2.53 kg (85% yield - corrected) of a white solid that was confirmed to be crystalline Form II by X-ray powder detraction analysis. The result showed that such a combination of chemo- and biocatalysis improved the catalytic yield more than two times compared with that of sole metal catalysis.I hope my blog about 3-(Chloromethyl)-4-methyl-1H-1,2,4-triazol-5(4H)-one is helpful to your research. Reference:
Patent; MERCK SHARP & DOHME CORP.; ITOH, Tetsuji; JEON, Ingyu; MANGION, Ian; QIAN, Gang; SHERRY, Benjamin, D.; GAUTHIER, Donald, R.; CAO, Yang; WO2014/89140; (2014); A1;,
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. 16681-70-2, name is 1H-[1,2,3]Triazole-4-carboxylic acid belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. name: 1H-[1,2,3]Triazole-4-carboxylic acid

EXAMPLE 3 4,5-Dibromo-1H-1,2,3-triazole STR12 To a solution of 140 g (1.32 moles) of sodium carbonate in 650 ml of water was added 75 g (661 mmoles) of 1H-1,2,3-triazole-4-carboxylic acid. The resulting solution was subjected to the dropwise addition of 208 g (1322 mmoles) of bromine and then stirred overnight at room temperature. After cooling to 0° C., the reaction was adjusted to pH 4 with 12N hydrochloric acid causing precipitation of 147 g (98percent) of 4,5-dibromo-1-H1,2,3-triazole as a white solid. The structure was confirmed by n.m.r. and I.R.

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 1H-[1,2,3]Triazole-4-carboxylic acid, in my other articles.

Reference:
Patent; Stauffer Chemical Company; US4596596; (1986); A;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

New discoveries in chemical research and development in 2021. As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world.7411-23-6, name is 3,5-Dibromo-1H-1,2,4-triazole belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. 7411-23-6

In a 250 mL round bottomed flask sodium hydride (60% dispersion in mineral oil) (264 mg, 6.61 mmol) was added to a colorless solution of 3,5-dibromo-1H-1,2,4-triazole (Int-1, 1 g, 4.41 mmol) in DMF (22 ml). The resulting suspension was stirred at room temp during 30 min and 3-(bromomethyl)-3-methyloxetane (873 mg, 5.29 mmol) was added and the reaction was stirred at 40C over night.The reaction mixture was poured into 50 mL H20 and extracted with EtOAc (3 x 50 mL). The organic layers were washed with sat NaCl (3 x 50 mL), dried over MgS04 and concentrated in vacuo. The title compound was isolated as a colorless liquid (1.35 g, 98.5 % yield). MS (ES+) m/z: 311.9 [(M+H)+].

We’ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, the role of 3,5-Dibromo-1H-1,2,4-triazole ,and how the biochemistry of the body works.

Reference:
Patent; F. HOFFMANN-LA ROCHE AG; HOFFMANN-LA ROCHE INC.; BARTELS, Bjoern; BERCHTOLD, Stefan; GALLEY, Guido; GOERGLER, Annick; JAKOB-ROETNE, Roland; KRUMMENACHER, Daniela; LIMBERG, Anja; NEIDHART, Werner; RATNI, Hasane; REUTLINGER, Michael; RODRIGUEZ SARMIENTO, Rosa Maria; SCHNIDER, Christian; (309 pag.)WO2018/87018; (2018); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Synthetic Route of 16681-70-2, New Advances in Chemical Research in 2021. The appropriate choice of redox mediator can avoid electrode passivation and overpotential, which strongly inhibit the efficient activation of substrates in electrolysis. 16681-70-2, name is 1H-[1,2,3]Triazole-4-carboxylic acid, molecular formula is C3H3N3O2, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

To a stirred solution of ( R,4R^-4-Amino-5-biphenyl-4-yl-2-hydroxypentanoic acid ethyl ester (200 mg, 638 muiotaetaomicron), HATU (291 mg, 766 muiotaetaomicron), 3H-[l,2,3]triazole-4- carboxylic acid (87 mg, 766 muiotaetaomicron), and DMF (3 mL), was added DIPEA (357 mu, 2.0 mmol), and the mixture was stirred at room temperature for 30 minutes. A saturated aqueous NH4C1 was added and the mixture was extracted with EtOAc. The organics were combined, dried over a2S04, and the solvent was evaporated. The crude residue was purified by normal phase chromatography (0-100% EtOAc/hexanes) to yield Compound 1 (76 mg).

By the way, if you are interested in learning more fun chemistry with your kids, get your hands into one chemistry set now, and start enjoying the best part of chemistry: experiments about 1H-[1,2,3]Triazole-4-carboxylic acid.

Reference:
Patent; THERAVANCE BIOPHARMA R&D IP, LLC; FLEURY, Melissa; BEAUSOLIEL, Anne-Marie; HUGHES, Adam D.; LONG, Daniel D.; WILTON, Donna A.A.; WO2015/116786; (2015); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Electric Literature of 58910-25-1, 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, 58910-25-1, name is 4-Ethyl-3-methyl-1H-1,2,4-triazol-5(4H)-one, molecular formula is C5H9N3O, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

After dissolving 4-ethyl-5-methyl-2,4-dihydro[1,2,4]triazol-3-one (CAS 58910-25-1) (2.00 g) in N,N-dimethylformamide (5 ml), sodium iodide (235 mg), sodium hydride (60% in oil) (238 mg) and (S)-(+)-epichlorhydrin (2.48 ml) were added and the mixture was stirred at room temperature for one day. Water was added to the reaction mixture, and extraction was performed with dichloromethane and ethyl acetate. The organic layer was washed with brine and dried over anhydrous magnesium sulfate. After filtration, the solvent was distilled off under reduced pressure. The residue was purified by silica gel column chromatography to obtain the title compound (540 mg).1H-NMR (400 MHz, CDCl3); delta 1.29 (t, J=7.2 Hz, 3H), 2.24 (s, 3H), 2.67 (dd, J=4.8, 2.8 Hz, 1H), 2.84 (t, J=4.8 Hz, 1H), 3.22-3.27 (m, 1H), 3.68 (q, J=7.2 Hz, 2H), 3.86 (dd, J=14.8, 5.6 Hz, 1H), 3.96 (dd, J=14.8, 4.4 Hz, 1H).

I am very proud of our efforts over the past few months and hope to 4-Ethyl-3-methyl-1H-1,2,4-triazol-5(4H)-one help many people in the next few years.

Reference:
Patent; Eisai R&D Management Co., Ltd.; US2009/270369; (2009); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics