7-Methoxybenzo[b]thiophene-2-carboxylic acid

Base Information

• Chemical Name: 7-Methoxybenzo[b]thiophene-2-carboxylic acid
• CAS No.: 88791-07-5
• Molecular Formula: C₁₀H₈O₃S
• Molecular Weight: 208.238
• Hs Code.: 2934999090
• European Community (EC) Number: 818-936-0
• DSSTox Substance ID: DTXSID10356328
• Wikidata: Q82135601
• Mol file: 88791-07-5.mol

Synonyms:7-Methoxybenzo[b]thiophene-2-carboxylic acid;88791-07-5;7-methoxy-1-benzothiophene-2-carboxylic acid;7-methoxy-Benzo[b]thiophene-2-carboxylic acid;SCHEMBL1850788;DTXSID10356328;QJWNYHKOXLTWOA-UHFFFAOYSA-N;MFCD01830203;AS-50267;CS-0237621;FT-0707770;EN300-185765;O11659

Chemical Property of 7-Methoxybenzo[b]thiophene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.86E-07mmHg at 25°C
• Boiling Point: 410°C at 760 mmHg
• Flash Point: 201.8°C
• PSA: 74.77000
• Density: 1.392g/cm³
• LogP: 2.60810
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 208.01941529
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

7-Methoxybenzo[b]thiophene-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1SC(=C2)C(=O)O

Technology Process of 7-Methoxybenzo[b]thiophene-2-carboxylic acid

There total 13 articles about 7-Methoxybenzo[b]thiophene-2-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: 100.0%

(2-formyl-6-methoxyphenylthio)acetic acid (88791-06-4) → 7-methoxybenzothiophene-2-carboxylic acid (88791-07-5)

Guidance literature:

With sodium hydroxide; In water; at 100 ℃; for 1h;

Reference yield: 98.0%

methyl 7-methoxybenzothiophene-2-carboxylate (88791-17-7) → 7-methoxybenzothiophene-2-carboxylic acid (88791-07-5)

Guidance literature:

With water; sodium hydroxide; In 1,4-dioxane; at 20 ℃; Inert atmosphere;

DOI:10.1039/d0md00277a

Reference yield: 90.0%

sodium monochloroacetic acid (3926-62-3) + 2-mercapto-3-methoxybenzaldehyde (88791-05-3) → 7-methoxybenzothiophene-2-carboxylic acid (88791-07-5)

Guidance literature:

In water; for 8h; Heating;

upstream raw materials:

sodium monochloroacetic acid

2-mercapto-3-methoxybenzaldehyde

S-(2-formyl-6-methoxyphenyl)-N,N-dimethylthiocarbamate

(2-formyl-6-methoxyphenylthio)acetic acid

Downstream raw materials:

C₂₅H₃₃FN₂O₅S₃

C₂₁H₂₅FN₂O₄S₂

C₄₃H₅₂N₈O₆S

C₃₉H₄₆N₆O₄S