Day: December 24, 2020

Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 956317-36-5, name is 5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid, This compound has unique chemical properties. The synthetic route is as follows., category: Triazoles

5-Methyl-2- (2H-1,2,3-triazol-2-yl) benzoic acid (2.03 g, 10 mmol) was added to a 100 mL single neck round bottom flask,Dissolved with anhydrous dichloromethane (20 mL)Thionyl chloride (15 mL, 200 mmol) and pyridine (0.15 mL, 2 mmol) were then added slowly,Gradually warmed to reflux for 3 hours.The reaction was stopped, cooled and the solvent was slowly evaporated under reduced pressure. The resulting product was used directly in the next step.

Chemical properties determine the actual use. Each compound has specific chemical properties and uses. We look forward to more synthetic routes in the future to expand reaction routes of 956317-36-5.

Reference:
Patent; Guangdong Dongyangguang Pharmaceutical Co., Ltd.; Jin Chuanfei; Xu Juan; Zhong Wenhe; Zhang Yingjun; Liu Qi; (35 pag.)CN105949203; (2016); A;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Synthetic Route of 7411-23-6, In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 7411-23-6 as follows.

A mixture of salt 1a (1 g, 2.9 mmol), 3,5-dibromo-1,2,4-triazole (0.66 g, 2.9 mmol), and K2CO3 (1.20 g, 8.7 mmol) in DMF (10 ml) was refluxed for 2 h. The mixture was cooled and poured into water (50 ml). The precipitate formed was filtered off and recrystallized from DMF. Yield 0.56 g (64%), colorless crystals; mp 244-246 C. IR spectrum, nu, cm-1: 3078, 3059, 3040 (H arom), 2932 (H2), 1628, 1558, 1531, 1512, 1466, 1439, 1404, 1292, 1265, 1215, 1173, 1157, 1142, 1068, 987, 972, 818, 768, 748, 717. 1H NMR spectrum (DMSO-d6), delta, ppm: 5.61 (2H, s, CH2); 7.35 (1, d, J = 9.2, H Ar); 7.51 (1, dd, J = 8.2, J = 0.9, H Ar); 7.61 (1, dd, J = 8.2, J = 1.4, H Ar); 7.76 (1H, d, J = 8.2, H Ar); 7.90-7.93 (2, m, H Ar). 13C NMR spectrum (DMSO-d6), delta, ppm: 45.1 (CH2); 108.5 (C); 117.1 (CH); 122.8 (CH); 126.3 (CH); 128.3 (CH); 128.9 (CH); 129.8 (C); 130.7 (CH); 130.8 (C); 137.5 (C); 145.4 (C); 153.37 (C). Found, %: 51.78; 2.57; N 14.03. C13H8BrN3O. Calculated, %: C 51.68; H 2.67; N 13.91.

According to the analysis of related databases, 7411-23-6, the application of this compound in the production field has become more and more popular.

Reference:
Article; Osyanin; Osipov; Klimochkin, Yu. N.; Chemistry of Heterocyclic Compounds; vol. 47; 12; (2012); p. 1607 – 1609; Khim. Geterotsikl. Soedin.; vol. 47; 12; (2011); p. 1914 – 1916,3;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Application of 1455-77-2,Some common heterocyclic compound, 1455-77-2, name is 3,5-Diamino-1,2,4-triazole, molecular formula is C2H5N5, 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.

A mixture of Hdatrz (9.9mg, 0.1mmol), NO2-H2ip (21.1mg, 0.1mmol) and Co(NO3)2¡¤6H2O (14.5mg, 0.05mmol) was dissolved in doubly distilled water (15.0mL), and the initial pH of the reactant mixture was adjusted to ca. 6 by slow addition of triethylamine with constant stirring. The resulting mixture was then transferred into a Teflon-lined stainless steel vessel (23.0mL) and heated at 140¡ãC for 72h under autogenous pressure. After the mixture was cooled to room temperature at a rate of 3.2¡ãCh?1, pink block-shaped crystals suitable for X-ray analysis were obtained directly, washed with water and dried in air (Yield: 50percent, based on CoII salt). Anal. Calc. for C20H18Co2N12O14: C, 31.27; H, 2.36; N, 21.88. Found: C, 31.25; H, 2.37; N, 21.86percent. IR (KBr pellet, cm?1): 3422 (br), 3336 (w), 3270 (w), 3083 (w), 1620 (s), 1571 (s), 1533 (s), 1366 (s), 1348 (s), 1200 (w), 1102 (w), 1068 (w), 822 (w), 785 (w), 753 (w), 735 (m), 718 (s), 669 (w), 563 (w), 525 (w), 477 (w), 433 (w).

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 3,5-Diamino-1,2,4-triazole, its application will become more common.

Reference:
Article; Zhao, Hong; Li, Hong-Xue; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun; Polyhedron; vol. 101; (2015); p. 29 – 36;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Reference of 16681-65-5,Some common heterocyclic compound, 16681-65-5, name is 1-Methyl-1H-1,2,3-triazole, molecular formula is C3H5N3, 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.

Example 39(2,4-dichloro-3-phenylquinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)(1-methyl-1H-1,2,3-triazol-5-yl)methanolTo a flask containing 1 -methyl- lH-l ,2,3-triazole (125 mg, 1.5 mmol) was added THF (10 mL) and the colorless solution was cooled to -45 C. Then, -BuLi (2.5 M in hexaiies, 0,6 mL, 1.5 mmol) was added affordi g a suspension. The suspension was stirred between -40 C and -10 C for 30 minutes, then a THF solution of (2,4-dichloro-3-phenylquinolin-6-yl)(l,2-dimethyl-lH- imidazol-5-yl)niethanone (500 mg, 1.26 mmol, Intermediate 18: step b, in 5 mL THF) was introduced and the mixture was allowed to warm up to room temperature. After 1 hour, the reaction mixture was heated to 40 C for 3 hours and then quenched with aqueous NH4CI solution. The aqueous portion was extracted with EtOAc (3 x 50 mL) and then with DCM (3 x 50 mL). The individual organic portions were washed with brine, dried over MgS04, filtered, combined and concentrated to dryness. Chromatography on silica gel (5% MeOH-DCM increasing to 10% MeOH) provided material which was re -purified by preparative TLC (5% 2 M-NH3-MeOH-EtO Ac) to provide the title compound as light tan solid. H NMR (500 MHz,CDCI3) delta 8.45 – 8.36 (m, 1H), 7.94 (d, J= 8.8 Hz, IH), 7.66 – 7.46 (m, 4H), 7.46 – 7.30 (m, 2H), 7.01 (s, 1H), 5.94 (s, IH), 3.91 (s, 3H), 3.34 (s, 3H), 2.17 (s, 3H). MS (ESI): mass calcd. for C24H20CI2N6O, 478.1 , m/z found 479.1 [M+H]+.

The synthetic route of 16681-65-5 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; JANSSEN PHARMACEUTICA NV; 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.; LEONARD, Kristi, A.; WO2015/57203; (2015); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Related Products of 16681-70-2,Some common heterocyclic compound, 16681-70-2, name is 1H-[1,2,3]Triazole-4-carboxylic acid, molecular formula is C3H3N3O2, 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.

[0814] lH-1,2,3-triazole-5-carboxylic acid (3.4 mg, 30f.tmol) was combined with HATU (11 mg, 30 f.tmol) in DMF(0.3 mL) and stirred at room temperature for 10 minutes;DIPEA (1 eq.) was added and the mixture was stirred for 1minute. Compound 2 (1 0 mg, 30 f.tmol) was dissolved in DMF(0.5 mL) and DIPEA (5.2 f.LL, 30 fllllOI) was added, followedby addition of the activated acid solution. The mixture wasstirred at room temperature for 30 minutes, after which timeLCMS indicated desired product formation. Half of the crudeproduct was purified using reverse phase chromatography toyield Compound a (20 mg) as a TFA salt. MS m/z [M+Hrcalc’d for C27H31CIFN50 4 , 544.21; found 544. Half of thecrude product was used in the next step without purification.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 1H-[1,2,3]Triazole-4-carboxylic acid, its application will become more common.

Reference:
Patent; THERAVANCE BIOPHARMA R&D IP, LLC; Fleury, Melissa; Beausoliel, Anne-Marie; Hughes, Adam D.; Long, Daniel D.; Wilton, Donna A.A.; US2015/210690; (2015); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Related Products of 423165-07-5, In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. 423165-07-5, name is exo-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane belongs to Triazoles compound, it is a common compound, a new synthetic route is introduced below.

Compound (I) (3.09 g) as prepared in Example 5, compound (II) (2.34 g) as prepared in Example 4, and THF (30 g) were mixed in a round bottom flask. After the mixture was cooled in an ice bath and reacted for 10 min, HOAc (1.5 g) was added into the mixture and reacted for another 10 min. Subsequently, NaBH(OAc)2 (3.2 g) was added into the reaction mixture to reduce intermediate to crude product. The whole reaction mixture was quenched with 15% NaOH to pH >10. The organic phase was collected by phase separation, and concentrated under reduced pressure. Maraviroc (4.6 g) in a form of white powder was obtained from the concentrate by crystallization with EA.

In the field of chemistry, the synthetic routes of compounds are constantly being developed and updated. I will also mention this compound in other articles, exo-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; SCI Pharmtech, Inc.; Wang, Heng-Yen; Kao, Chen-Yi; US2019/248782; (2019); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Application of 41253-21-8, A common heterocyclic compound, 41253-21-8, name is Sodium 1,2,4-triazol-1-ide, molecular formula is C2H2N3Na, 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.

(i) Preparation of crude anastrozole Into a IL, three-necked RB flask was charged 54g of sodium triazole monohydrate and 500ml of dry DMF under nitrogen atmosphere. The reaction mass was cooled to 25 C. (2,2′-[5-Bromomethyl)-l,3-phenylene]di(2-methylpropio-nitrile was added to the reaction mass over a period of 2hr. The reaction mass was maintained at this temperature until the completion of reaction. The reaction mass was transferred into 3 L flask containing 1.6L of water and stirred for 30min. Reaction mass was extracted with toluene (2 x 300ml and 1 x 100ml). Toluene layers were combined and washed with water (2 x 200ml). Toluene layer was treated with activated carbon (5g) and filtered. Toluene was distilled off from the filtrate under vacuum to get 98g of crude anastrozole.

The synthetic route of 41253-21-8 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; NATCO PHARMA LIMITED; PULLA REDDY, Muddasani; SAMBASIVA RAO, Talasila; VENKAIAH CHOWDARY, Nannapaneni; WO2007/39919; (2007); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 16681-65-5, name is 1-Methyl-1H-1,2,3-triazole, A new synthetic method of this compound is introduced below., Recommanded Product: 16681-65-5

A solution of n-butyllithium in hexanes (2.5 M, 22.5 mL, 56.3 mmol) was added dropwise by syringe to a stirring solution of 1-methyl-1H-1,2,3-triazole (5.00 g, 60.2 mmol, prepared according to PCT Int. Appl., 2008098104) in dry tetrahydrofuran (400 mL) at -55 C. The resulting off-white slurry was stirred at -45 C. for 20 minutes, whereupon a solution of 2,6-dimethyl-pyridine-3-carbaldehyde (8.33 g, 61.7 mmol) in dry tetrahydrofuran (10 mL) was added dropwise by syringe. After 5 minutes, the cooling bath was removed and the reaction mixture was allowed to slowly warm. After 45 minutes, saturated aqueous ammonium chloride solution (10 mL) and ethyl acetate (100 mL) were added. The mixture was concentrated by rotary evaporation. The residue was dissolved in ethyl acetate (300 mL). The organic solution was washed with saturated aqueous sodium chloride solution (100 mL, containing excess solid sodium chloride). The aqueous layer was extracted with ethyl acetate (2*100 mL). The organic layers were combined and the combined solution was concentrated. Ether (100 mL) was added to the residue and the mixture was sonicated for 20 minutes during which time a white solid crashed out. The solids were collected by filtration. Ether (100 mL) was added to the collected solids and the mixture sonicated a second time. After 20 minutes, the mixture was filtered and the solids were collected to provide the title compound as a fine powder.

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.

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; US2015/105366; (2015); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Adding a certain compound to certain chemical reactions, such as: 1455-77-2, name is 3,5-Diamino-1,2,4-triazole, belongs to Triazoles compound, can increase the reaction rate and produce products with better performance than those obtained under traditional synthetic methods. Here is a downstream synthesis route of the compound 1455-77-2, SDS of cas: 1455-77-2

Example 9A(rac)-2-Amino-7-[4-cyano-2-(methylsulfonyl)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]-pyrimidine-6-carbonitrileUnder argon, 4-(2-cyano-3-oxobut-1-en-1-yl)-3-(methylsulfonyflbenzonitrile (1.0 g, 3.65 mmol), 3,5-diaminotriazole (1.08 g, 10.94 mmol, 3.0 eq.), D,L-proline (214 mg, 2.55 mmol, 0.7 eq.) and molecular sieve (4 A, 0.5 g) were suspended in a mixture of pyridine (20 ml) and DMF (30 ml) and stirred for 3 d.More 3,5-diaminotriazole (361 mg, 3.64 mmol, 1 eq.) was added, and the mixture was stirred for a further 5 d.The reaction mixture was then filtered and the filtrate was concentrated under reduced pressure (intermediate 4-[2-cyano-1-(3,5-diamino-1H-1,2,4-triazol-1-yl)-3-oxobutyl]-3-(methylsulfonyl)benzonitrile).Toluene (68 ml), pyridine (55 ml) and 4-toluenesulfonic acid monohydrate (100 mg, 0.53 mmol, 0.14 eq.) were added to the intermediate, and the mixture was heated under reflux (1 h).The reaction mixture was then concentrated under reduced pressure and the residue was dried under high vacuum.Ethanol (30 ml) was added, the residue was suspended and stirred in an ultrasonic bath and the solid was then filtered off and finally dried under high vacuum.This gave 673 mg (50percent of theory) of the title compound.LC-MS (Method 7): Rt=1.00 min; MS (ESIpos): m/z (percent)=356.1 (100) [M+H]+; MS (ESIneg): m/z (percent)=354.2 (100) [M-H]-.1H-NMR (400 MHz, DMSO-d6): delta=2.15 (s, 3H), 3.55 (s, 3H), 5.40 (m, 2H), 7.05 (s, 1H), 7.75 (m, 1H), 8.25 (m, 1H), 8.35 (s, 1H), 11.05 (s, 1H).

In the field of chemistry, the synthetic routes of compounds are constantly being developed and updated. I will also mention this compound in other articles, 3,5-Diamino-1,2,4-triazole, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; BAYER SCHERING PHARMA AKTIENGESELLSCHAFT; US2012/4203; (2012); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 288-36-8, name is 1H-1,2,3-Triazole, A new synthetic method of this compound is introduced below., HPLC of Formula: C2H3N3

Intermediate 21: 2-Fluoro-6-(2H-l,2,3-triazol-2-yl)benzoic acid To a solution of 2H-l,2,3-triazole (5.0 g, 72.46 mmol ) in DMF (20 ml) was added cesium carbonate (23.55 g, 72.46 mmol), N,N-dimethylethylenediamine (1.02 g, 7.24 mmol), copper(I) iodide (0.34 g, 1.811 mmol) and 2-fluoro-6-iodobenzoic acid (9.63 g, 36.23 mmol ) at 0-10 C. The reaction was stirred at 125C for 15 min in the microwave and then poured into water (100 ml) and extracted with ethyl acetate (100 ml x 3). The aqueous layer was acidified with dilute HC1 to pH 2 and extracted with ethyl acetate (100 ml x 3). The combined organic layer was washed with brine, dried over sodium sulphate and concentrated in vacuo. This was then purified by column chromatography (0-3% methanol / dichloromethane) to afford the title compound.1H NMR (400 MHz DMSO- d6): delta ppm 7.43-7.47 (m, 1H), 7.66-7.72 (m, 1H), 7.78-7.80 (m, 1H), 8.13 (s, 2H), 13.71 (s, 1H)MS ES+: 208

The synthetic route of 288-36-8 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; TAKEDA CAMBRIDGE LIMITED; TAKEDA PHARMACEUTICAL COMPANY LIMITED; FIELDHOUSE, Charlotte; GLEN, Angela; ROBINSON, John Stephen; FUJIMOTO, Tatsuhiko; WO2015/55994; (2015); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics