Methyl 1-benzothiophene-5-carboxylate

Base Information

• Chemical Name: Methyl 1-benzothiophene-5-carboxylate
• CAS No.: 20532-39-2
• Molecular Formula: C₁₀H₈O₂S
• Molecular Weight: 192.238
• DSSTox Substance ID: DTXSID101284008
• Mol file: 20532-39-2.mol

Synonyms:methyl 1-benzothiophene-5-carboxylate;20532-39-2;methyl benzo[b]thiophene-5-carboxylate;benzo[b]thiophene-5-carboxylic acid methyl ester;Benzo[b]thiophene-5-carboxylic acid, methyl ester;SCHEMBL826885;XCDQIUIOQIOHFF-UHFFFAOYSA-N;DTXSID101284008;methylbenzo[b]thiophene-5-carboxylate;AKOS028114084;SB16257;CS-15855;CS-0056757;D72932;EN300-5122236;Z1422315618

Chemical Property of Methyl 1-benzothiophene-5-carboxylate

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 192.02450067
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

99%, ^*data from raw suppliers

Methyl1-benzothiophene-5-carboxylate 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(C=C1)SC=C2

Technology Process of Methyl 1-benzothiophene-5-carboxylate

There total 8 articles about Methyl 1-benzothiophene-5-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: 97.0%

methanol (67-56-1) + benzo[b]thiophene-5-carboxylic acid (2060-64-2) → methyl benzothiophene-5-carboxylate (20532-39-2)

Guidance literature:

With thionyl chloride; at 60 ℃; for 4h;

Reference yield: 96.0%

benzo[b]thiophene-5-carboxylic acid (2060-64-2) → methyl benzothiophene-5-carboxylate (20532-39-2)

Guidance literature:

With sulfuric acid; In methanol; for 3h; Reflux;

Reference yield: 78.0%

2-trimethylsilylethynylthiophene-3-carbaldehyde (1266327-49-4) + Methyl thioglycolate (2365-48-2) → methyl benzothiophene-5-carboxylate (20532-39-2)

Guidance literature:

Methyl thioglycolate; With potassium; In methanol;

2-trimethylsilylethynylthiophene-3-carbaldehyde; In methanol; Microwave irradiation;

DOI:10.1016/j.tet.2010.11.073

upstream raw materials:

methyl 6,7-dihydrobenzothiophene-5-carboxylate

2-trimethylsilylethynylthiophene-3-carbaldehyde

Methyl thioglycolate

methanol

Downstream raw materials:

methyl 3-bromo-1-benzothiophene-5-carboxylate

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