2-Methyl-1-benzothiophene-3-carboxylic acid

Base Information

• Chemical Name: 2-Methyl-1-benzothiophene-3-carboxylic acid
• CAS No.: 17375-82-5
• Molecular Formula: C₁₀H₈O₂S
• Molecular Weight: 192.238
• European Community (EC) Number: 886-921-6
• Nikkaji Number: J3.083.242F
• Mol file: 17375-82-5.mol

Synonyms:2-methyl-1-benzothiophene-3-carboxylic acid;17375-82-5;2-methylbenzothiophene-3-carboxylic acid;SCHEMBL1398747;AFUYTLSLJWHYSV-UHFFFAOYSA-N;MFCD11856810;AKOS023770277;2-methyl-1-benzothiophene-3-carboxylicacid;EN300-222538;F2167-9500

Chemical Property of 2-Methyl-1-benzothiophene-3-carboxylic acid

Chemical Property:

• Melting Point: 195.8-196.4 °C
• Boiling Point: 379.9±22.0 °C(Predicted)
• Density: 1.355±0.06 g/cm3(Predicted)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.02450067
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-1-benzothiophene-3-carboxylicacid 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2S1)C(=O)O

Technology Process of 2-Methyl-1-benzothiophene-3-carboxylic acid

There total 1 articles about 2-Methyl-1-benzothiophene-3-carboxylic acid 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:

benzo[b]thiophen-2-ylmethyl-magnesium chloride (569650-91-5) + methylammonium carbonate (15719-64-9,15719-76-3,97762-63-5) → 2-Methylbenzothiophene (1195-14-8) + benzothiophene-2-methanol (17890-56-1) + 2-methylbenzothiophene-3-carboxylic acid (17375-82-5) + 2-benzothienylacetic acid (75894-07-4)

Guidance literature:

DOI:10.1021/ja01123a054

Reference yield:

2-methylbenzothiophene-3-carboxylic acid (17375-82-5) → 2-methylbenzothiophene-3-carboxylic acid chloride (17375-83-6)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In toluene; at 20 - 50 ℃; for 2h;

DOI:10.1021/jm00070a008

upstream raw materials:

benzo[b]thiophen-2-ylmethyl-magnesium chloride

methylammonium carbonate

Downstream raw materials:

2-methylbenzothiophene-3-carboxylic acid chloride