Methyl 3-(4-bromophenyl)propanoate

Base Information

• Chemical Name: Methyl 3-(4-bromophenyl)propanoate
• CAS No.: 75567-84-9
• Molecular Formula: C10H11BrO2
• Molecular Weight: 243.1
• Hs Code.: 2916399090
• ChEMBL ID: CHEMBL2252094
• DSSTox Substance ID: DTXSID50466213
• Nikkaji Number: J2.829.970B
• Wikidata: Q72488797
• Mol file: 75567-84-9.mol

Synonyms:methyl 3-(4-bromophenyl)propanoate;75567-84-9;Methyl 3-(4-Bromophenyl)propionate;MFCD09953150;Benzenepropanoic acid, 4-bromo-, methyl ester;SCHEMBL516422;CHEMBL2252094;AMY4102;DTXSID50466213;FKPYNBFWCSTPOT-UHFFFAOYSA-N;methyl3-(4-bromophenyl)propanoate;CS-D0634;AKOS015835690;AB55324;DS-1044;AC-23575;SY013642;FT-0656713;M2588;3-(4-bromophenyl)-propionic acid methyl ester;3-(4-bromo-phenyl)-propionic acid methyl ester;A838450;J-522084;3-(4-BROMOPHENYL)PROPIONIC ACID METHYL ESTER

Chemical Property of Methyl 3-(4-bromophenyl)propanoate

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Refractive Index: 1.536
• Boiling Point: 287.26 °C at 760 mmHg
• Flash Point: 127.53 °C
• PSA: 26.30000
• Density: 1.39 g/cm³
• LogP: 2.55470
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 241.99424
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Methyl 3-(4-bromophenyl)propionate, 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC1=CC=C(C=C1)Br

Technology Process of Methyl 3-(4-bromophenyl)propanoate

There total 22 articles about Methyl 3-(4-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: 100.0%

methanol (67-56-1) + 3-(4-bromophenyl)propionic acid (1643-30-7) → methyl 3-(4-bromopehynl)propanoate (75567-84-9)

Guidance literature:

methanol; With acetyl chloride; at 0 ℃; for 0.166667h; Inert atmosphere;

3-(4-bromophenyl)propionic acid; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.3390/molecules25040769

Reference yield: 100.0%

3-(4-bromophenyl)propionic acid (1643-30-7) + carbonic acid dimethyl ester (616-38-6) → methyl 3-(4-bromopehynl)propanoate (75567-84-9)

Guidance literature:

With Novozym 435; acylase I from Aspergillus melleus; amano lipase AK from pseudomonas fluorescens; lipase from wheat germ; papaine; In toluene; at 40 ℃; for 48h; Mechanism; Enzymatic reaction;

DOI:10.1016/j.molcatb.2014.02.020

Reference yield: 98.0%

trimethyl phosphonoacetate (5927-18-4) + 4-bromo-benzaldehyde (1122-91-4) → methyl 3-(4-bromopehynl)propanoate (75567-84-9)

Guidance literature:

With sodium hydride; In tetrahydrofuran;

DOI:10.1246/cl.1998.203

upstream raw materials:

diazomethane

3-(4-bromophenyl)propionic acid

acrylic acid methyl ester

(4-bromophenyl)hydrazine

Downstream raw materials:

[3-(4-bromophenyl)propoxy](tert-butyl)dimethylsilane

3-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)propan-1-ol

3-[4-(3-Bromo-propyl)-phenyl]-3-trifluoromethyl-3H-diazirine

1-{4-[3-(tert-butyldimethylsilyloxy)propyl]phenyl}-2,2,2-trifluoroethanone