3-(4-Acetylphenyl)-2-bromopropanoic acid

Base Information

• Chemical Name: 3-(4-Acetylphenyl)-2-bromopropanoic acid
• CAS No.: 18910-19-5
• Molecular Formula: C11H11 Br O3
• Molecular Weight: 271.109
• Hs Code.: 2918300090
• NSC Number: 101130
• DSSTox Substance ID: DTXSID00295313
• Mol file: 18910-19-5.mol

Synonyms:3-(4-acetylphenyl)-2-bromopropanoic acid;18910-19-5;Benzenepropanoic acid, 4-acetyl-alpha-bromo-;NSC101130;NCIOpen2_006770;SCHEMBL2559396;DTXSID00295313;OTXNYZKECLXPSN-UHFFFAOYSA-N;4-Acetyl-alfa-bromohydrocinnamicacid;AKOS015917365;NSC-101130;Benzenepropanoic acid, 4-acetyl-a-bromo-;3-(4-acetyl-phenyl)-2-bromo-propionic acid;FT-0654133;A813300

Chemical Property of 3-(4-Acetylphenyl)-2-bromopropanoic acid

Chemical Property:

• Vapor Pressure: 9.15E-07mmHg at 25°C
• Boiling Point: 389.5°Cat760mmHg
• Flash Point: 189.4°C
• PSA: 54.37000
• Density: 1.519g/cm³
• LogP: 2.27980
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 269.98916
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

3-(4-ACETYLPHENYL)-2-BROMOPROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(4-Acetylphenyl)-2-bromopropanoic acid

There total 2 articles about 3-(4-Acetylphenyl)-2-bromopropanoic 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:

p-aminobenzophenone (99-92-3) + acrylic acid (79-10-7) → 4-acetyl-alpha-bromobenzenepropanoic acid (18910-19-5)

Guidance literature:

With tert.-butylnitrite; copper(ll) bromide; In acetonitrile;

DOI:10.1021/jo00434a018

Reference yield:

→ 4-acetyl-alpha-bromobenzenepropanoic acid (18910-19-5)

Guidance literature:

Acetylanilin, NaNO2;

Reference yield:

4-acetyl-alpha-bromobenzenepropanoic acid (18910-19-5) → 5-(4-Acetylbenzyl)thiazolidine-2,4-dione (125531-96-6)

Guidance literature:

With hydrogenchloride; thiourea; In sulfolane;

upstream raw materials:

p-aminobenzophenone

acrylic acid

Downstream raw materials:

5-<4-(3-phenylpropyl)benzyl>thiazolidine-2,4-dione

(E)-5-<4-(3-phenyl-2-propenoyl)benzyl>thiazolidine-2,4-dione

5-<4-(1-hydroxy-3-phenylpropyl)benzyl>thiazolidine-2,4-dione

5-[4-((E)-3-Furan-2-yl-acryloyl)-benzyl]-thiazolidine-2,4-dione