Methyl 3-(2-bromophenyl)propanoate

Base Information

• Chemical Name: Methyl 3-(2-bromophenyl)propanoate
• CAS No.: 66191-86-4
• Molecular Formula: C10H11BrO2
• Molecular Weight: 243.1
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID40577246
• Nikkaji Number: J3.053.519G
• Wikidata: Q72488801
• Mol file: 66191-86-4.mol

Synonyms:METHYL 3-(2-BROMOPHENYL)PROPANOATE;66191-86-4;Methyl 3-(2-bromophenyl)propionate;MFCD09953149;3-(2-Bromophenyl)propionic Acid Methyl Ester;Benzenepropanoic acid, 2-bromo-, methyl ester;SCHEMBL6757;3-(2-bromo-phenyl)-propionic acid methyl ester;O-bromophenolmethyl propionate;Methyl 2-bromobenzenepropanoate;DTXSID40577246;NIULOVGPRAJIJM-UHFFFAOYSA-N;AB3933;AKOS015914883;CS-W010269;2-Bromobenzenepropanoic acid methyl ester;DS-14663;METHYL3-(2-BROMOPHENYL)PROPANOATE;SY017608;M2587;EN300-6764828;A835358

Chemical Property of Methyl 3-(2-bromophenyl)propanoate

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Refractive Index: 1.536
• Boiling Point: 282.983 °C at 760 mmHg
• Flash Point: 124.944 °C
• PSA: 26.30000
• Density: 1.39 g/cm³
• LogP: 2.55470
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 241.99424
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-(2-Bromophenyl)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC1=CC=CC=C1Br

Technology Process of Methyl 3-(2-bromophenyl)propanoate

There total 12 articles about Methyl 3-(2-bromophenyl)propanoate 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: 97.0%

methanol (67-56-1) + 3-(2-bromophenyl)propionic acid (15115-58-9) → 3-(2-bromophenyl)propanoic acid,methyl ester (66191-86-4)

Guidance literature:

With sulfuric acid; Reflux;

DOI:10.1002/anie.201609110

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: 90.0%

3-(2-bromophenyl)propionic acid (15115-58-9) + methyl iodide (74-88-4) → 3-(2-bromophenyl)propanoic acid,methyl ester (66191-86-4)

Guidance literature:

3-(2-bromophenyl)propionic acid; With potassium carbonate; In N,N-dimethyl-formamide; for 0.25h;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1055/s-0031-1290384

upstream raw materials:

methanol

3-(2-bromophenyl)propionic acid

carbon monoxide

2-bromostyrene

Downstream raw materials:

3-(2-bromo-phenyl)-propan-1-ol

C₁₁H₁₂O₂

methyl 3-(2-vinylphenyl)propanoate

3-[2-(6-oxo-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-2-yl)-phenyl]-propionic acid methyl ester