o-Bromophenyl propionate

Base Information

• Chemical Name: o-Bromophenyl propionate
• CAS No.: 23600-76-2
• Molecular Formula: C9H9 Br O2
• Molecular Weight: 229.073
• Hs Code.: 2915509000
• European Community (EC) Number: 245-771-6
• NSC Number: 404318
• UNII: UD7XLX9XGF
• DSSTox Substance ID: DTXSID60178254
• Nikkaji Number: J51.074B
• Wikidata: Q83048634
• Mol file: 23600-76-2.mol

Synonyms:o-Bromophenyl propionate;23600-76-2;(2-bromophenyl) propanoate;Propionic acid, o-bromo-phenyl ester;o-Bromo-phenyl propionate;Phenol, o-bromo-, propionate;EINECS 245-771-6;NSC 404318;BRN 3048943;2-BROMOPHENYL PROPANOATE;NSC-404318;2-Bromophenyl propionate;o-Bromophenyl=propionate;UD7XLX9XGF;SCHEMBL1343624;DTXSID60178254;Phenol, 2-bromo-, 1-propanoate;NSC404318;LS-124520

Chemical Property of o-Bromophenyl propionate

Chemical Property:

• Vapor Pressure: 0.0068mmHg at 25°C
• Boiling Point: 270.5°Cat760mmHg
• Flash Point: 117.4°C
• PSA: 26.30000
• Density: 1.433g/cm³
• LogP: 2.76450
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.97859
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

ORTHO-BROMOPHENYL PROPIONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OC1=CC=CC=C1Br

Technology Process of o-Bromophenyl propionate

There total 1 articles about o-Bromophenyl propionate 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:

2-hydroxybromobenzene (95-56-7) + propionyl chloride (79-03-8) → 2-bromophenyl propionic acid (23600-76-2)

Guidance literature:

Reference yield: 97.0%

methanol (67-56-1) + 2-bromophenyl propionic acid (23600-76-2) → 3-(2-bromophenyl)propanoic acid,methyl ester (66191-86-4)

Guidance literature:

With sulfuric acid; In water; for 18h; Reflux; Inert atmosphere;

DOI:10.1016/j.ejmech.2017.10.059

Reference yield:

2-bromophenyl propionic acid (23600-76-2) → 1-(3-bromo-4-hydroxy-phenyl)-propan-1-one (18430-72-3)

Guidance literature:

With aluminium trichloride; at 120 ℃;

upstream raw materials:

2-hydroxybromobenzene

propionyl chloride

Downstream raw materials:

1-(3-bromo-4-hydroxy-phenyl)-propan-1-one

3'-bromo-2'-hydroxy-propiophenone

1-(3-bromo-4-methoxyphenyl)-1-propanone

1-(3,5-dibromo-2-hydroxy-phenyl)-propan-1-one