Methyl 2-(1-benzothiophen-3-yl)acetate

Base Information

• Chemical Name: Methyl 2-(1-benzothiophen-3-yl)acetate
• CAS No.: 7597-67-3
• Molecular Formula: C11H10O2S
• Molecular Weight: 206.2609
• NSC Number: 42319
• DSSTox Substance ID: DTXSID10997331
• Nikkaji Number: J265.577B
• Wikidata: Q82989417
• Mol file: 7597-67-3.mol

Synonyms:7597-67-3;methyl 2-(1-benzothiophen-3-yl)acetate;NSC42319;methyl benzothiophene-3-acetate;SCHEMBL1470493;DTXSID10997331;methyl benz[b]thiophen-3-ylacetate;methyl benzo[b]thiophen-3-ylacetate;NSC-42319;Methyl (1-benzothiophen-3-yl)acetate;Benzo[b]thiophene-3-acetic acid methyl ester

Chemical Property of Methyl 2-(1-benzothiophen-3-yl)acetate

Chemical Property:

• Vapor Pressure: 0.000377mmHg at 25°C
• Boiling Point: 317.8°Cat760mmHg
• Flash Point: 146°C
• Density: 1.243g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 206.04015073
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CSC2=CC=CC=C21

Technology Process of Methyl 2-(1-benzothiophen-3-yl)acetate

There total 5 articles about Methyl 2-(1-benzothiophen-3-yl)acetate 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%

methanol (67-56-1) + benzo[b]thiophene-3-acetic acid (1131-09-5) → methyl 3-benzothienylacetate (7597-67-3)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

DOI:10.1016/S0968-0896(03)00220-7

Reference yield: 100.0%

benzo[b]thiophene-3-acetic acid (1131-09-5) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 3-benzothienylacetate (7597-67-3)

Guidance literature:

In methanol; hexane; benzene; at 0 - 20 ℃; for 1h;

Reference yield: 100.0%

benzo[b]thiophene-3-acetic acid (1131-09-5) + dimethyl sulfate (77-78-1) → methyl 3-benzothienylacetate (7597-67-3)

Guidance literature:

With potassium carbonate; In acetone; at 20 - 50 ℃; for 1h;

DOI:10.1021/acsmedchemlett.0c00331

upstream raw materials:

methanol

2-(benzo[b]thiophen-3-yl)acetonitrile

benzo[b]thiophene-3-acetic acid

diazomethyl-trimethyl-silane

Downstream raw materials:

N-<2-(3,4-dimethoxyphenyl)ethyl>-3-benzothienylacetamide

C₁₇H₁₂O₃S

C₁₈H₁₄O₃S

C₁₈H₁₄O₄S