3-Bromo-4-oxo-4-thiophen-2-yl-butyric acid

Base Information

• Chemical Name: 3-Bromo-4-oxo-4-thiophen-2-yl-butyric acid
• CAS No.: 53515-21-2
• Molecular Formula: C₈H₇BrO₃S
• Molecular Weight: 263.112
• Hs Code.: 2934999090
• European Community (EC) Number: 651-183-4
• Mol file: 53515-21-2.mol

Synonyms:53515-21-2;3-Bromo-4-oxo-4-thiophen-2-yl-butyric acid;3-bromo-4-oxo-4-thien-2-ylbutanoic acid;3-bromo-4-oxo-4-(thiophen-2-yl)butanoic acid;3-bromo-4-oxo-4-thiophen-2-ylbutanoic acid;SCHEMBL7823510;AKOS001021537;AKOS016044750;3-bromo-4-oxo-4-(thiophen-2-yl)butanoicacid;EN300-08268;SR-01000078882;SR-01000078882-1;Z56774106;F0266-3949

Chemical Property of 3-Bromo-4-oxo-4-thiophen-2-yl-butyric acid

Chemical Property:

• Vapor Pressure: 2.65E-07mmHg at 25°C
• Boiling Point: 405.5°Cat760mmHg
• Flash Point: 199°C
• PSA: 82.61000
• Density: g/cm³
• LogP: 2.16900
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 261.92993
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-4-oxo-4-thiophen-2-yl-butyric acid 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C(=O)C(CC(=O)O)Br

Technology Process of 3-Bromo-4-oxo-4-thiophen-2-yl-butyric acid

There total 1 articles about 3-Bromo-4-oxo-4-thiophen-2-yl-butyric 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:

4-oxo-4-thiophen-2-yl-butyric acid (4653-08-1) → 3-bromo-4-oxo-4-thiophen-2-yl-butyric acid (53515-21-2)

Guidance literature:

With chloroform; bromine;

DOI:10.1039/jr9450000455

Reference yield:

p-methoxythiobenzamide (2362-64-3) + 3-bromo-4-oxo-4-thiophen-2-yl-butyric acid (53515-21-2) → [2-(4-methoxy-phenyl)-4-thiophen-2-yl-thiazol-5-yl]-acetic acid (23821-83-2)

Guidance literature:

With sodium carbonate; In isopropyl alcohol;

DOI:10.1021/jm00257a010

Reference yield:

2-methylthiobenzamide (53515-19-8) + 3-bromo-4-oxo-4-thiophen-2-yl-butyric acid (53515-21-2) → (4-thiophen-2-yl-2-o-tolyl-thiazol-5-yl)-acetic acid (23821-65-0)

Guidance literature:

With sodium carbonate; In isopropyl alcohol;

DOI:10.1021/jm00257a010

upstream raw materials:

4-oxo-4-thiophen-2-yl-butyric acid

Downstream raw materials:

2-(2-amino-4-(thiophen-2-yl)thiazol-5-yl)acetic acid

[2-(4-methoxy-phenyl)-4-thiophen-2-yl-thiazol-5-yl]-acetic acid

(4-thiophen-2-yl-2-o-tolyl-thiazol-5-yl)-acetic acid

(2-phenyl-4-thiophen-2-yl-thiazol-5-yl)-acetic acid