Methyl 2-chlorothiophene-3-carboxylate

Base Information

• Chemical Name: Methyl 2-chlorothiophene-3-carboxylate
• CAS No.: 76360-42-4
• Molecular Formula: C6H5ClO2S
• Molecular Weight: 176.62100
• DSSTox Substance ID: DTXSID801225170
• Mol file: 76360-42-4.mol

Synonyms:Methyl 2-chlorothiophene-3-carboxylate;76360-42-4;3-Thiophenecarboxylic acid, 2-chloro-, methyl ester;SCHEMBL15111367;DTXSID801225170;BDA36042;MFCD14698135;Methyl2-chlorothiophene-3-carboxylate;AKOS022189672;AS-68722;SY286781;CS-0187471;FT-0733971;C76443;A915125

Chemical Property of Methyl 2-chlorothiophene-3-carboxylate

Chemical Property:

• PSA: 54.54000
• LogP: 2.18810
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 175.9698783
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-chlorothiophene-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(SC=C1)Cl

Technology Process of Methyl 2-chlorothiophene-3-carboxylate

There total 3 articles about Methyl 2-chlorothiophene-3-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: 98.0%

methanol (67-56-1) + 2-chlorothiophene-3-carboxylic acid (53935-71-0) → methyl 2-chlorothiophene-3-carboxylate (76360-42-4)

Guidance literature:

With thionyl chloride; at 0 - 20 ℃; for 3h;

Reference yield:

2-chlorothiophene-3-carboxylic acid (53935-71-0) → methyl 2-chlorothiophene-3-carboxylate (76360-42-4)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / 0.25 h / Heating

2: 1 h / Heating

With thionyl chloride;

DOI:10.1002/(SICI)1521-4184(199812)331:12<405::AID-ARDP405>3.0.CO;2-2

Reference yield:

methanol (67-56-1) + 2-Chloro-thiophene-3-carbonyl chloride (332370-74-8) → methyl 2-chlorothiophene-3-carboxylate (76360-42-4)

Guidance literature:

for 1h; Yield given; Heating;

DOI:10.1002/(SICI)1521-4184(199812)331:12<405::AID-ARDP405>3.0.CO;2-2

upstream raw materials:

methanol

2-Chloro-thiophene-3-carbonyl chloride

2-chlorothiophene-3-carboxylic acid

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