4-PyriMidinecarboxylic acid, 5-broMo-2-(Methylthio)-, ethyl ester

Base Information

• Chemical Name: 4-PyriMidinecarboxylic acid, 5-broMo-2-(Methylthio)-, ethyl ester
• CAS No.: 74840-38-3
• Molecular Formula: C8H9BrN2O2S
• Molecular Weight: 277.142
• Hs Code.: 2933599090
• Mol file: 74840-38-3.mol

Synonyms:5-bromo-2-methylthiopyrimidine-4-carboxylic acid ethyl ester;5-bromo-2-methylsulfanyl-pyrimidine-4-carboxylic acid ethyl ester;ethyl 5-bromo-2-methylthio-4-pyrimidinecarboxylate;Ethyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate;QC-4773;

Chemical Property of 4-PyriMidinecarboxylic acid, 5-broMo-2-(Methylthio)-, ethyl ester

Chemical Property:

• PSA: 77.38000
• LogP: 2.13770
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 5-bromo-2-(methylthio)-pyrimidine-4-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-PyriMidinecarboxylic acid, 5-broMo-2-(Methylthio)-, ethyl ester

There total 1 articles about 4-PyriMidinecarboxylic acid, 5-broMo-2-(Methylthio)-, ethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 76.0%

5-bromo-2-methylsulfanyl-pyrimidine-4-carboxylic acid (50593-92-5) + ethanol (64-17-5) → ethyl 5-bromo-2-methylthio-4-pyrimidinecarboxylate (74840-38-3)

Guidance literature:

With hydrogenchloride; at 60 - 70 ℃; for 1h;

DOI:10.1135/cccc19800539

Reference yield: 84.0%

2-Chlorobenzeneboronic acid (3900-89-8) + ethyl 5-bromo-2-methylthio-4-pyrimidinecarboxylate (74840-38-3) → 5-(2-Chloro-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxylic acid ethyl ester (311335-75-8)

Guidance literature:

With triethylamine; palladium diacetate; triphenylphosphine; In N,N-dimethyl-formamide; at 105 ℃; for 4h;

Reference yield:

ethyl 5-bromo-2-methylthio-4-pyrimidinecarboxylate (74840-38-3) → 5-(2-Chloro-phenyl)-2-methylsulfonyl-pyrimidine-4-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide (311334-77-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: triethylamine / palladium diacetate; triphenylphosphine / N,N-dimethyl-formamide / 4 h / 105 °C

2.1: sodium hydroxide / ethanol / 1 h / 20 °C

2.2: pH 1

3.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 16 h

4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 2 h / 5 - 20 °C

With sodium hydroxide; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; 3-chloro-benzenecarboperoxoic acid; palladium diacetate; triphenylphosphine; In ethanol; dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

5-bromo-2-methylsulfanyl-pyrimidine-4-carboxylic acid

ethanol

Downstream raw materials:

α-(5-bromo-2-methylthio-4-pyrimidinyl)benzhydrol

(5-bromo-2-methylthio-4-pyrimidinyl)-diphenyl-(1-imidazolyl)methane

5-(2-Chloro-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxylic acid ethyl ester

5-(2-Chloro-phenyl)-2-methylsulfonyl-pyrimidine-4-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide

Refernces