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2-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl ester

Base Information Edit
  • Chemical Name:2-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl ester
  • CAS No.:946-99-6
  • Molecular Formula:C11H11BrO2
  • Molecular Weight:255.111
  • Hs Code.:2916399090
  • European Community (EC) Number:619-059-4
  • DSSTox Substance ID:DTXSID401250638
  • Mol file:946-99-6.mol
2-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl ester

Synonyms:2-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl ester;methyl 3-[4-(bromomethyl)phenyl]prop-2-enoate;ZSRCGGBALFGALF-UHFFFAOYSA-N;DTXSID401250638;AKOS025243928;SY018618;FT-0617898;Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate;A845045;3-[4-(bromomethyl)phenyl]-2-propenoic acid methyl ester

Suppliers and Price of 2-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl ester
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Usbiological
  • Methyl 4-bromomethylcinnamate
  • 500mg
  • $ 425.00
  • Usbiological
  • Methyl 4-Bromomethylcinnamate
  • 1g
  • $ 418.00
  • TRC
  • Methyl4-Bromomethylcinnamate
  • 10g
  • $ 120.00
  • SynQuest Laboratories
  • Methyl 4-(bromomethyl)cinnamate 96%
  • 25 g
  • $ 144.00
  • SynQuest Laboratories
  • Methyl 4-(bromomethyl)cinnamate 96%
  • 100 g
  • $ 336.00
  • Matrix Scientific
  • Methyl 3-(4-bromomethyl)cinnamate 98%
  • 1g
  • $ 20.00
  • Matrix Scientific
  • Methyl 3-(4-bromomethyl)cinnamate 98%
  • 5g
  • $ 40.00
  • Matrix Scientific
  • Methyl 3-(4-bromomethyl)cinnamate 98%
  • 10g
  • $ 75.00
  • Crysdot
  • Methyl3-(4-(bromomethyl)phenyl)acrylate 97%
  • 500g
  • $ 535.00
  • American Custom Chemicals Corporation
  • METHYL 3-(4-BROMOMETHYL)CINNAMATE 95.00%
  • 5G
  • $ 1075.31
Total 72 raw suppliers
Chemical Property of 2-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl ester Edit
Chemical Property:
  • Vapor Pressure:0mmHg at 25°C 
  • Melting Point:62-63 °C 
  • Refractive Index:1.596 
  • Boiling Point:333.916 °C at 760 mmHg 
  • Flash Point:155.747 °C 
  • PSA:26.30000 
  • Density:1.418 g/cm3 
  • LogP:2.76770 
  • Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C 
  • Solubility.:Chloroform, DMSO, Ethyl Acetate, Methanol 
  • XLogP3:3.2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:4
  • Exact Mass:253.99424
  • Heavy Atom Count:14
  • Complexity:205
Purity/Quality:

99.0% Min *data from raw suppliers

Methyl 4-bromomethylcinnamate *data from reagent suppliers

Safty Information:
  • Pictogram(s): IrritantXi 
  • Hazard Codes:Xi 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:COC(=O)C=CC1=CC=C(C=C1)CBr
  • Uses Methyl 3-(4-bromomethyl)cinnamate is used in the synthesis of p-, m-, and ο-bis-(2-chloroethyl)aminomethylcinnamic acid hydrochloride and their esters as inhibitors. Used in the synthesis of p-, m-, and ο-bis-(2-chloroethyl)aminomethylcinnamic acid hydrochloride and their esters as inhibitors.
Technology Process of 2-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl ester

There total 3 articles about 2-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl ester 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:
Guidance literature:
methyl 3-(4-methylphenyl)acrylate; In 1,2-dichloro-ethane; at 120 ℃; for 1.5h; under 3800.26 Torr; Inert atmosphere;
With tetrabutylammomium bromide; acetic acid; In 1,2-dichloro-ethane; at 150 ℃; for 7h; under 6080.41 Torr; Reagent/catalyst; Solvent; Temperature; Pressure;
Guidance literature:
Multi-step reaction with 3 steps
1.1: piperidine / N,N-dimethyl-formamide / 4 h / Reflux
2.1: thionyl chloride / 1 h / 0 °C
2.2: 4 h / 65 °C
3.1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 2 h / 20 °C
With piperidine; N-Bromosuccinimide; thionyl chloride; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; N,N-dimethyl-formamide; 1.1: |Knoevenagel Condensation;
DOI:10.1016/j.ejmech.2019.02.054
Guidance literature:
Multi-step reaction with 2 steps
1.1: thionyl chloride / 1 h / 0 °C
1.2: 4 h / 65 °C
2.1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 2 h / 20 °C
With N-Bromosuccinimide; thionyl chloride; 2,2'-azobis(isobutyronitrile); In tetrachloromethane;
DOI:10.1016/j.ejmech.2019.02.054
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