Methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate

Base Information

• Chemical Name: Methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
• CAS No.: 6311-74-6
• Molecular Formula: C₇H₇ClN₂O₂S
• Molecular Weight: 218.664
• Hs Code.: 2933599090
• NSC Number: 43251
• DSSTox Substance ID: DTXSID50285926
• Wikidata: Q82021474
• Mol file: 6311-74-6.mol

Synonyms:6311-74-6;methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate;methyl 6-chloro-2-methylsulfanylpyrimidine-4-carboxylate;Methyl 6-chloro-2-(methylthio)pyrimidine-4-carboxylate;NSC43251;SCHEMBL1734395;DTXSID50285926;4-Pyrimidinecarboxylic acid, 6-chloro-2-(methylthio)-, methyl ester;NSC 43251;NSC-43251;SB12839;CS-0184785;D96504;A901166;EN300-24214650;Z2181976281;2-methylthio-6-chloro-pyrimidin-4-yl carboxylic acid methyl ester;6-chloro-2-methylsulfanyl-pyrimidine-4-carboxylic acid methyl ester;METHYL 6-CHLORO-2-METHYLSULFANYL-PYRIMIDINE-4-CARBOXYLATE

Chemical Property of Methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.000183mmHg at 25°C
• Boiling Point: 329°C at 760 mmHg
• Flash Point: 152.8°C
• PSA: 77.38000
• Density: 1.42g/cm³
• LogP: 1.63850
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 217.9916763
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

Methyl6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=NC(=N1)SC)Cl

Technology Process of Methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate

There total 2 articles about Methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate 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:

methanol (67-56-1) + 6-chloro-2-(methylthio)pyrimidine-4-carbonyl chloride (200000-17-5) → methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate (6311-74-6)

Guidance literature:

6-chloro-2-(methylthio)pyrimidine-4-carbonyl chloride; With N-ethyl-N,N-diisopropylamine; In chloroform; at 0 ℃; for 0.333333h;

methanol; In chloroform; at 0 ℃; for 0.0833333h;

Reference yield:

→ methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate (6311-74-6)

Guidance literature:

6-Hydroxy-2-methylmercapto-pyrimidin-4-carbonsaeure-methylester, POCl3;

DOI:10.1021/jo01066a033

Reference yield: 100.0%

methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate (6311-74-6) → 6-chloro-2-methylsulfanyl-pyrimidine-4-carboxylic acid amide (6301-33-3)

Guidance literature:

With ammonia; In methanol; chloroform; for 0.333333h;

upstream raw materials:

methanol

6-chloro-2-(methylthio)pyrimidine-4-carbonyl chloride

Downstream raw materials:

6-chloro-2-methylsulfanyl-pyrimidine-4-carboxylic acid amide