4-Methoxy-benzo[b]thiophene-2-carboxylic acid methyl ester

Base Information

• Chemical Name: 4-Methoxy-benzo[b]thiophene-2-carboxylic acid methyl ester
• CAS No.: 146137-88-4
• Molecular Formula: C₁₁H₁₀O₃S
• Molecular Weight: 222.265
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00590178
• Wikidata: Q82483872
• Mol file: 146137-88-4.mol

Synonyms:146137-88-4;4-Methoxy-benzo[b]thiophene-2-carboxylic acid methyl ester;Methyl 4-methoxybenzo[b]thiophene-2-carboxylate;Methyl 4-methoxy-1-benzothiophene-2-carboxylate;Benzo[b]thiophene-2-carboxylic acid, 4-methoxy-, methyl ester;SCHEMBL828798;DTXSID00590178;BGXBEXAXVSOWJC-UHFFFAOYSA-N;WFA13788;MFCD07371551;SB33702;DB-063644;CS-0211685;F94994;Methyl4-methoxybenzo[b]thiophene-2-carboxylate;methyl 4-methoxy-1-benzo[b]thiophene-2-carboxylate

Chemical Property of 4-Methoxy-benzo[b]thiophene-2-carboxylic acid methyl ester

Chemical Property:

• Vapor Pressure: 6.36E-05mmHg at 25°C
• Refractive Index: 1.613
• Boiling Point: 345°C at 760 mmHg
• Flash Point: 162.4°C
• PSA: 63.77000
• Density: 1.27g/cm³
• LogP: 2.69650
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 222.03506535
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

4-Methoxy-benzo[b]thiophene-2-carboxylicacidmethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C=C(SC2=CC=C1)C(=O)OC

Technology Process of 4-Methoxy-benzo[b]thiophene-2-carboxylic acid methyl ester

There total 4 articles about 4-Methoxy-benzo[b]thiophene-2-carboxylic acid methyl 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: 91.0%

Methyl thioglycolate (2365-48-2) + 2-fluoro-6-methoxybenzaldehyde (146137-74-8) → methyl 4-methoxybenzo[b]thiophene-2-carboxylate (146137-88-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 15h;

DOI:10.1016/j.ejmech.2019.04.024

Reference yield: 55.0%

→ NaH + methyl 4-methoxybenzo[b]thiophene-2-carboxylate (146137-88-4)

Guidance literature:

Reference yield:

3-fluoro-4-methoxyaniline (366-99-4) → methyl 4-methoxybenzo[b]thiophene-2-carboxylate (146137-88-4)

Guidance literature:

upstream raw materials:

Methyl thioglycolate

2-fluoro-6-methoxybenzaldehyde

1-fluoro-3-methoxybenzene

3-fluoro-4-methoxyaniline

Downstream raw materials:

4-methoxybenzo[b]thiophene-2-carboxylic acid