Methyl 2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate

Base Information

• Chemical Name: Methyl 2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate
• CAS No.: 107048-59-9
• Molecular Formula: C12H13BrO3
• Molecular Weight: 285.137
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90694114
• Mol file: 107048-59-9.mol

Synonyms:methyl 2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate;107048-59-9;2-(Bromomethyl)-alpha-(methoxymethylene)benzeneacetic acid methyl ester;methyl 3-methoxy-2-(2-bromomethylphenyl)acrylate;MFCD16038453;DTXSID90694114;MGUDGDSNHPKOLL-UHFFFAOYSA-N;SY265148;methyl alpha-(2-bromomethylphenyl)-betamethoxyacrylate;Methyl alpha-(2-bromomethylphenyl)-beta-methoxyacrylate;2-(alpha-bromo-o-tolyl)-3-methoxyacrylic acid methyl ester;methyl 2-(bromomethyl)-alpha-(methoxymethylene)phenylacetate;methyl alpha- (2-bromomethylphenyl ) -beta-methoxyacrylate;methyl alpha-[2-(bromomethyl)-phenyl]-beta-methoxyacrylate;2-(bromomethyl)-alpha-(methoxymethylene)-phenylacetic acid methyl ester

Chemical Property of Methyl 2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 94℃
• Refractive Index: 1.556
• Boiling Point: 383.487 °C at 760 mmHg
• Flash Point: 185.726 °C
• PSA: 35.53000
• Density: 1.383 g/cm³
• LogP: 2.74180
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 284.00481
• Heavy Atom Count: 16
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

2-(Bromomethyl)-alpha-(methoxymethylene)benzeneaceticacid methylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC=C(C1=CC=CC=C1CBr)C(=O)OC

Technology Process of Methyl 2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate

There total 7 articles about Methyl 2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate 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: 75.0%

→ methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate (107048-59-9)

Guidance literature:

With sodium bromate; 2,2'-azobis(isobutyronitrile); sodium hydrogensulfite; In water; ethyl acetate; at 65 - 75 ℃; for 7h;

Reference yield: 47.0%

methanol (67-56-1) + methyl 2-(2-bromomethylphenyl)-3-hydroxyacrylate + trimethyl orthoformate (149-73-5) → methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate (107048-59-9)

Guidance literature:

With methanesulfonic acid; at 55 - 110 ℃; for 6h;

Reference yield:

methyl 3-methoxy-2-(2'-methyl)phenyl-2-propenoate → methyl 2-(2-(bromomethyl)phenyl)-3-methoxyacrylate (107048-59-9)

Guidance literature:

With bromine; 2,2’-azobis(4-methoxy-2,4-dimethyl)valeronitrile; In water; chlorobenzene; at 50 - 57 ℃; for 1.5 - 1.75h;

upstream raw materials:

methanol

trimethyl orthoformate

o-methylphenylacetic acid

(E)-methyl 3-methoxy-2-(2-methylphenyl)propenoate

Refernces

• 1、 Bao, Longzhu,Wang, Shuangshuang,Song, Di,Wang, Jingjing,Cao, Xiufang,Ke, Shaoyong. "Synthesis and bio-evaluation of natural butenolides-acrylate conjugates". . . Retrieved 2019/04/05.
• 2、 -. "A METHOXYL ACRYLIC ESTER FUNGICIDE, THE PREPARATION METHOD AND USES THEREOF". . . Retrieved 2011/04/24.