946-99-6

Basic information

• Product Name: Methyl 3-(4-bromomethyl)cinnamate
• Synonyms: Methyl 3-(4-(broMoMethyl)phenyl)acrylate;Methyl 3-(4-bromomethyl)cinnamate 4-Bromomethylcinnamic acid methyl ester;946-99-6;Methyl 4-bromomethylcinnamate, >=98%;4-bromomethyl cinnamate;(E)-methyl 3-(4-(bromomethyl)phenyl)acrylate;METHYL-P-BROMOMETHYL-CINNAMATE;METHYL-4-BROMOMETHYL-CINNAMATE
• CAS NO: 946-99-6
• Molecular Formula: C₁₁H₁₁BrO₂
• Molecular Weight: 255.11
• Product Categories: Cinnamic acid;Aromatics;Inhibitors
• Mol File: 946-99-6.mol
• Article Data: 3

Chemical Properties

• Melting Point: 62-63 °C
• Boiling Point: 333.916 °C at 760 mmHg
• Flash Point: 155.747 °C
• Appearance: /
• Density: 1.418 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.596
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility: Chloroform, DMSO, Ethyl Acetate, Methanol
• CAS DataBase Reference: Methyl 3-(4-bromomethyl)cinnamate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 3-(4-bromomethyl)cinnamate(946-99-6)
• EPA Substance Registry System: Methyl 3-(4-bromomethyl)cinnamate(946-99-6)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 946-99-6(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 946-99-6 differently. You can refer to the following data:
1. 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.
2. Used in the synthesis of p-, m-, and ο-bis-(2-chloroethyl)aminomethylcinnamic acid hydrochloride and their esters as inhibitors.

InChI:InChI=1/C11H11BrO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-7H,8H2,1H3/b7-6+

Upstream product

• 1866-39-3 4-methylcinnamic acid 
• 104-87-0 4-methyl-benzaldehyde 
• 7560-43-2 methyl 3-(4-methylphenyl)acrylate 

Downstream Products

• 86911-05-9 1-acetyl-3-<4-(2-methoxycarbonylvinyl)benzyl>imidazolium bromide 
• 87087-49-8 methyl p-methoxymethylcinnamate 
• 86911-07-1 1-ethoxycarbonyl-3-<4-(2-methoxycarbonylvinyl)benzyl>imidazolium bromide 
• 86911-06-0 1-benzoyl-3-<4-(2-methoxycarbonylvinyl)benzyl>imidazolium bromide 
• 74003-11-5 3-(4-((1H-imidazol-1-yl)methyl)phenyl)acrylic acid 
• 87087-51-2 methyl p-phenoxymethylcinnamate 

Relevant articles and documents

Synthesis method of ozagrel intermediate phenol bromomethyl cinnamate

The invention discloses a synthesis method of bromomethyl cinnamate by uisng an ozagrel intermediate, which is characterized in that the p-bromomethyl cinnamate is brominated to obtain phenol bromomethyl cinnamate, and the reaction process comprises the following steps of: 1) under the condition of protective gas, uniformly mixing the p-bromomethyl cinnamate, an auxiliary substance and a solvent A, controlling the reaction temperature to be 110-130 DEG C and the pressure to be 4-6 atmospheric pressures, stirring for 1-2h, maintaining the reaction conditions, starting to drop a mixed aqueous solution C of brominated salt and glacial acetic acid, controlling the dropping time to be 1-3 hours, controlling the temperature to be 140-160 DEG C after dropping, controlling the pressure to be 7-10-10 atmospheric pressures, and finishing the reaction after 4-6 hours; 2) cooling the system, pouring the reaction product into 2-4 times of volume of water, adding a solvent B for extraction, layering, washing an organic layer by water, drying by a drying agent, and concentrating and evaporating to remove the solvent to obtain the product. The synthesis method has the advantages of good selectivity, low cost and high yield.

The Determination of Inductive Effects by 13C Nuclear Magnetic Resonance Spectrometry

A series of meta- and para-XCH2-substituted methyl cinnamates has been prepared and the 13C n.m.r. chemical shifts of the α- and β-side-chain carbons have been determined in ethanol.In the majority of cases the magnitudes of the substituent-induced chemic