4,6-Dichloro-2-(methylthio)-5-Pyrimidinecarboxylic acid ethyl ester

Base Information

• Chemical Name: 4,6-Dichloro-2-(methylthio)-5-Pyrimidinecarboxylic acid ethyl ester
• CAS No.: 959070-42-9
• Molecular Formula: C8H8Cl2N2O2S
• Molecular Weight: 267.136
• Hs Code.: 2933599090
• Mol file: 959070-42-9.mol

Synonyms:4,6-dichloro-2-(methylthio)-5-Pyrimidinecarboxylic acid ethyl ester; 5-Pyrimidinecarboxylic acid, 4,6-dichloro-2-(methylthio)-, ethyl ester; Ethyl4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate; Ethyl-4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate

Chemical Property of 4,6-Dichloro-2-(methylthio)-5-Pyrimidinecarboxylic acid ethyl ester

Chemical Property:

• Melting Point: 64-66℃
• Boiling Point: 356.0±37.0 °C(Predicted)
• PKA: -6.49±0.39(Predicted)
• PSA: 77.38000
• Density: 1.47
• LogP: 2.68200
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4,6-Dichloro-2-(methylthio)-5-Pyrimidinecarboxylic acid ethyl ester

There total 6 articles about 4,6-Dichloro-2-(methylthio)-5-Pyrimidinecarboxylic acid 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: 86.0%

4,6-Dichloro-2-(methylthio)pyrimidine (6299-25-8) + ethyl cyanoformate (623-49-4) → 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester (959070-42-9)

Guidance literature:

4,6-Dichloro-2-(methylthio)pyrimidine; With 2,2,6,6-tetramethylpiperidinylmagnesium chloride lithium chloride complex; In tetrahydrofuran; at 25 ℃; Inert atmosphere;

ethyl cyanoformate; In tetrahydrofuran; at 25 ℃; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.200801831

Reference yield: 69.0%

4,6-Dichloro-2-(methylthio)pyrimidine (6299-25-8) + chloroformic acid ethyl ester (541-41-3) → 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester (959070-42-9)

Guidance literature:

4,6-Dichloro-2-(methylthio)pyrimidine; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

chloroformic acid ethyl ester; In tetrahydrofuran; hexane; at -78 - 0 ℃; for 1h; Inert atmosphere;

Reference yield:

chloroformic acid ethyl ester (541-41-3) + 4,6-dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylic acid (313339-35-4) → 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester (959070-42-9)

Guidance literature:

4,6-dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylic acid; With lithium diisopropyl amide; In tetrahydrofuran; n-heptane; ethylbenzene; at -78 ℃; for 1h; Inert atmosphere;

chloroformic acid ethyl ester; In tetrahydrofuran; n-heptane; ethylbenzene; at -78 ℃; for 1.16667h; Reagent/catalyst; Solvent; Inert atmosphere;

upstream raw materials:

4,6-Dichloro-2-(methylthio)pyrimidine

ethyl cyanoformate

chloroformic acid ethyl ester

ethanol

Downstream raw materials:

ethyl 4-chloro-6-((3-ethoxy-3-oxopropyl)(phenyl)amino)-2-(methylthio)pyrimidine-5-carboxylate

ethyl ester of 4-(N-benzyl-N-(3-methoxy-3-oxopropyl)amino)-6-chloro-2-methyl-thio-pyrimidine-5-carboxylic acid

C₁₈H₂₀ClN₃O₄S

6-(4-methoxybenzyl)-4-(methylthio)-6,7,8,9-tetrahydro-2H-1,2,3,5,6-pentaazabenzo[cd]azulene-9-carboxylic acid