Category: 126541-82-0

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. 126541-82-0, name is Methyl 3-amino-4-(trifluoromethyl)benzoate, A new synthetic method of this compound is introduced below., Formula: C9H8F3NO2

To a mixture of methyl 3-amino-4-(trifluoromethyl)benzoate (15 g, 0.073 mol) and aqueous HC1 solution (i2 M, 24 mL) in H20 (i00 mL) at 0 C was added dropwise a solution of NaNO2 (5.5 g, 0.080 mol) in H20 (30 mL). The reaction was stined at 0 C for 30 mm and then added dropwise to a sluny of CuCN (7.1 g, 0.080 mol) and KCN (8.4 g, 0.i3 mol) in H20 (200 mL), while maintaining the internal temperature between 5-1 0 C. After the addition was complete, the reaction was heated at 80 C for 1 h. The mixture was cooled and the solution was extracted with EtOAc (200 mL x 4). The combined organic layers were dried over anhydrous Na2504 and concentrated. The residue was purified by column chromatography on silica gel (2% EtOAc in PE) to afford the title compound. MS: m/z = 230.0 (M + 1). ?H NMR (400 MHz, CDC13)oe 8.46-8.53 (m, 1H), 8.33-8.42 (m, 1H), 7.87-7.95 (m, 1H), 4.01 (s, 3H).

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; MERCK SHARP & DOHME CORP.; STUMP, Craig A.; CHEN, Yi Heng; LIU, Ping; MENG, Dongfang; WU, Jane; LI, Chun Sing; QI, Zhiqi; (163 pag.)WO2016/161572; (2016); A1;,
Ester – Wikipedia,
Ester – 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. 126541-82-0, name is Methyl 3-amino-4-(trifluoromethyl)benzoate, A new synthetic method of this compound is introduced below., category: esters-buliding-blocks

To a mixture of methyl 3-amino-4-(trifluoromethyl)benzoate (15 g, 0.073 mol) and aqueous HC1 solution (i2 M, 24 mL) in H20 (i00 mL) at 0 C was added dropwise a solution of NaNO2 (5.5 g, 0.080 mol) in H20 (30 mL). The reaction was stined at 0 C for 30 mm and then added dropwise to a sluny of CuCN (7.1 g, 0.080 mol) and KCN (8.4 g, 0.i3 mol) in H20 (200 mL), while maintaining the internal temperature between 5-1 0 C. After the addition was complete, the reaction was heated at 80 C for 1 h. The mixture was cooled and the solution was extracted with EtOAc (200 mL x 4). The combined organic layers were dried over anhydrous Na2504 and concentrated. The residue was purified by column chromatography on silica gel (2% EtOAc in PE) to afford the title compound. MS: m/z = 230.0 (M + 1). ?H NMR (400 MHz, CDC13)oe 8.46-8.53 (m, 1H), 8.33-8.42 (m, 1H), 7.87-7.95 (m, 1H), 4.01 (s, 3H).

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; MERCK SHARP & DOHME CORP.; STUMP, Craig A.; CHEN, Yi Heng; LIU, Ping; MENG, Dongfang; WU, Jane; LI, Chun Sing; QI, Zhiqi; (163 pag.)WO2016/161572; (2016); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

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. 126541-82-0, name is Methyl 3-amino-4-(trifluoromethyl)benzoate, This compound has unique chemical properties. The synthetic route is as follows., Recommanded Product: Methyl 3-amino-4-(trifluoromethyl)benzoate

N-Chlorosuccinimide (8.2 g, 61 mmol) was added to a solution of methyl 3-amino-4- (trifluoromethyl)benzoate ( 13.2 g, 60.0 mmol) in acetonitrile (200 mL), and the resulting mixture was heated at 80 C for 20 h. After cooling, the mixture was partitioned between water (500 mL) and EtOAc (2 x 300 mL). The combined organic layers were washed with brine (200 mL), dried over anhydrous NaaSOzi, and concentrated. The residue was purified by column chromatography on silca gel (PE:EtOAc = 6: 1) to afford the title compound. MS: m/z = 254 (M + 1). lH NMR (400 MHz, CDC13) delta 7.49 (s, 1H), 7.17 (s, 1H), 3.92 (s, 3H).

According to the analysis of related databases, 126541-82-0, the application of this compound in the production field has become more and more popular.

Reference:
Patent; MERCK SHARP & DOHME CORP.; MITCHELL, Helen; FRALEY, Mark E.; COOKE, Andrew J.; STUMP, Craig A.; ZHANG, Xu-Fang; MCCOMAS, Casey C.; SCHIRRIPA, Kathy; MCWHERTER, Melody; LIU, Chungsing; MAO, Qinghau; WO2015/143653; (2015); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Adding a certain compound to certain chemical reactions, such as: 126541-82-0, name is Methyl 3-amino-4-(trifluoromethyl)benzoate, belongs to esters-buliding-blocks 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 126541-82-0, Formula: C9H8F3NO2

Step A: Methyl 3-bromo-4-(trifluoromethyl)benzoatet-BuONO (79.0 g, 765 mmol) was added to a solution of methyl 3-amino-4- (trifluoromethyl)benzoate (67.0 g, 306 mmol) and CuBr (88.0 g, 612 mmol) in acetonitrile (1000 mL) at 0 C, and the resulting mixture was warmed to 25 C and stirred for 12 h. The mixture was then poured into EtOAc (600 mL) and filtered. The filtrate was washed with an aqueous HCl solution (1 M, 200 mL x 3), then brine (200 mL), dried over Na2S04 and concentrated. The residue was purified by column chromatography on silica gel (PE:EA = 200: 1) to give the title compound. MS: mlz = 283, 285 (M + 1). *H NMR (400 MHz, CDC13) delta 8.37 (s, 1H), 8.06 (d, J = 8.0 Hz, 1H), 7.77 (d, J= 8.0 Hz, 1H), 3.97 (s, 3H).

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, Methyl 3-amino-4-(trifluoromethyl)benzoate, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; MERCK SHARP & DOHME CORP.; MSD R&D (CHINA) CO., LTD.; MITCHELL, Helen; FRALEY, Mark, E.; COOKE, Andrew, J.; CHEN, Yi-Heng; STUMP, Craig, A.; ZHANG, Xu-Fang; MCCOMAS, Casey, C.; SCHIRRIPA, Kathy; MCWHERTER, Melody; MERCER, Swati, P.; BABAOGLU, Kerim; MENG, Dongfang; WU, Jane; LIU, Ping; WOOD, Harold, B.; BAO, Jianming; LI, Chun Sing; MAO, Qinghua; QI, Zhiqi; (263 pag.)WO2015/148344; (2015); A2;,
Ester – Wikipedia,
Ester – 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. 126541-82-0, name is Methyl 3-amino-4-(trifluoromethyl)benzoate, A new synthetic method of this compound is introduced below., Application In Synthesis of Methyl 3-amino-4-(trifluoromethyl)benzoate

Step C: Methyl 3-cyano-4-(trifluoromethyl)benzoateTo a mixture of methyl 3-amino-4-(trifluoromethyl)benzoate (3.2 g, 15 mmol) and aqueous HC1 solution (12 M, 3.5 mL) in water (20 mL) was added dropwise a solution of NaN02 (1.2 g, 17 mmol) in water (7.0 mL) at 5 C. The resulting mixture was stirred for 30 min at 5 C and then added dropwise to a slurry of CuCN (1.3 g, 15 mmol) and KCN (1.6 g, 25 mmol) in water (4 mL), while maintaining the internal temperature between 5-10 C. The mixture was stirred at 10 C for 30 min and then heated at 80 C for 1 h. After cooling, the mixture was extracted with DCM (30 mL x 3). The combined organic layers were washed with brine, dried over Na2S04 and concentrated to afford the title compound. MS: m/z = 230 (M +1). 1H MR (400 MHz, CDC13) delta 8.45-8.53 (m, 1H), 8.33-8.40 (m, 1H), 7.91 (d, 1H, = 8.5 Hz), 4.01 (s, 3H).

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; MERCK SHARP & DOHME CORP.; MITCHELL, Helen; FRALEY, Mark E.; COOKE, Andrew J.; STUMP, Craig A.; BESHORE, Douglas C.; MCCOMAS, Casey C.; SCHIRRIPA, Kathy; ZHANG, Xu-Fang; MCWHERTER, Melody; MERCER, Swati P.; MOORE, Keith; LIU, Chungsing; MAO, Qinghau; (79 pag.)WO2015/143652; (2015); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics