Methyl 3-methoxy-1-benzothiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-methoxy-1-benzothiophene-2-carboxylate
• CAS No.: 19354-51-9
• Molecular Formula: C11H10 O3 S
• Molecular Weight: 222.265
• DSSTox Substance ID: DTXSID50941035
• Nikkaji Number: J242.782F
• Mol file: 19354-51-9.mol

Synonyms:methyl 3-methoxy-1-benzothiophene-2-carboxylate;methyl 3-methoxybenzo[b]thiophene-2-carboxylate;SCHEMBL9025214;DTXSID50941035;EINECS 242-988-8;methyl 3-methoxybenzo[b]-thiophene-2-carboxylate;3-Methoxybenzo[b]thiophene-2-carboxylic acid methyl ester

Chemical Property of Methyl 3-methoxy-1-benzothiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 4.33E-05mmHg at 25°C
• Boiling Point: 350.6°Cat760mmHg
• Flash Point: 165.9°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:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(SC2=CC=CC=C21)C(=O)OC

Technology Process of Methyl 3-methoxy-1-benzothiophene-2-carboxylate

There total 17 articles about Methyl 3-methoxy-1-benzothiophene-2-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: 99.0%

methyl bisulfate (75-93-4) + methyl 3-hydroxybenzo[b]thiophene-2-carboxylate (13134-76-4) → methyl 3-methoxybenzothiophene-2-carboxylate (19354-51-9)

Guidance literature:

With potassium carbonate; In water; acetone;

Reference yield: 95.0%

methyl 3-hydroxybenzo[b]thiophene-2-carboxylate (13134-76-4) + methyl iodide (74-88-4) → methyl 3-methoxybenzothiophene-2-carboxylate (19354-51-9)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h; Inert atmosphere;

Reference yield: 89.0%

methanol (67-56-1) + 3-chlorobenzo[b]thiophen-2-carbonyl chloride (21815-91-8) → methyl 3-methoxybenzothiophene-2-carboxylate (19354-51-9)

Guidance literature:

methanol; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

3-chlorobenzo[b]thiophen-2-carbonyl chloride; In tetrahydrofuran; Inert atmosphere; Reflux;

DOI:10.1071/CH14055

upstream raw materials:

methanol

4-methoxy-1-thiocoumarin

acrylonitrile

dimethyl sulfate

Downstream raw materials:

Methyl 3-methoxy-1-benzothiophene-2-carboxylate 1,1-dioxide

3-methoxy-1-benzothiophene-2-carboxylic acid

3-hydroxybenzo[b]thiophene-2-carbaldehyde

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