Methyl 2-(5-bromothiophen-2-yl)acetate

Base Information

• Chemical Name: Methyl 2-(5-bromothiophen-2-yl)acetate
• CAS No.: 67137-56-8
• Molecular Formula: C7H7BrO2S
• Molecular Weight: 235.101
• European Community (EC) Number: 831-596-8
• Mol file: 67137-56-8.mol

Synonyms:Methyl 2-(5-bromothiophen-2-yl)acetate;67137-56-8;SCHEMBL1598343;KEYPHZZYKZVXLU-UHFFFAOYSA-N;methyl (5-bromo-2-thienyl)acetate;MFCD19354070;AKOS017409157;Methyl2-(5-bromothiophen-2-yl)acetate;AS-41098;CS-0434795;EN300-225257;(5-bromo-thiophen-2-yl)-acetic acid methyl ester

Chemical Property of Methyl 2-(5-bromothiophen-2-yl)acetate

Chemical Property:

• PSA: 54.54000
• LogP: 2.22610
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.93501
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Methyl 2-(5-bromothiophen-2-yl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CC=C(S1)Br

Technology Process of Methyl 2-(5-bromothiophen-2-yl)acetate

There total 5 articles about Methyl 2-(5-bromothiophen-2-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: 81.0%

methyl 2-thiopheneacetate (19432-68-9) → (5-bromo-thiophen-2-yl)-acetic acid methyl ester (67137-56-8)

Guidance literature:

With N-Bromosuccinimide; acetic acid; In chloroform; at 20 ℃; for 72h;

DOI:10.1021/jm060536g

Reference yield: 72.0%

2,5-dibromothiophen (3141-27-3) + bromoacetic acid methyl ester (96-32-2) → (5-bromo-thiophen-2-yl)-acetic acid methyl ester (67137-56-8)

Guidance literature:

2,5-dibromothiophen; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

bromoacetic acid methyl ester; In tetrahydrofuran; at -78 ℃; for 2h;

Reference yield:

Thiophene acetic acid → methyl 2-thiopheneacetate (19432-68-9) + (5-bromo-thiophen-2-yl)-acetic acid methyl ester (67137-56-8)

Guidance literature:

With sulfuric acid; In methanol;

upstream raw materials:

methyl 2-thiopheneacetate

Thiophene-2-acetic acid

2,5-dibromothiophen

bromoacetic acid methyl ester

Downstream raw materials:

[5-(2-amino-phenyl)-thiophen-2-yl]-acetic acid methyl ester

[5-(3-nitro-phenyl)-thiophen-2-yl]-acetic acid methyl ester

[5-(4-nitro-phenyl)-thiophen-2-yl]-acetic acid methyl ester

methyl [5-(4-hydroxyphenyl)-2-thienyl]acetate