Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate
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![Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/60cfff0ec20c474e897ff5b7729c61ad.png "Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate")
Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate
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CAS No:
946-99-6
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Formula:
C11H11BrO2
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Chemical Name:
Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate
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Synonyms:
2-Propenoic acid,3-[4-(bromomethyl)phenyl]-,methyl ester;Cinnamic acid,p-(bromomethyl)-,methyl ester;Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate;Methyl 4-bromomethylcinnamate;3-(4-Bromomethylphenyl)acrylic acid methyl ester
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CAS No:
Safety Information
Xi
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate Use and Manufacturing
General procedure: To a solution of compound 4 (4.5mmol) in 50mL acetonitrile, was added 11 (8.2mmol), K2CO3 (6.0mmol), and KI (0.7mmol) at 50C for 8h. After the reaction completed, the reaction mixture was concentrated, and the residue was gathered through extraction and concentration, and further purified through quick column chromatography to yield compounds 12a-p.General procedure: To a solution of compound 4 (4.5mmol) in 50mL acetonitrile, was added 11 (8.2mmol), K2CO3 (6.0mmol), and KI (0.7mmol) at 50C for 8h. After the reaction completed, the reaction mixture was concentrated, and the residue was gathered through extraction and concentration, and further purified through quick column chromatography to yield compounds 12a-p.General procedure: To a solution of compound 4 (4.5mmol) in 50mL acetonitrile, was added 11 (8.2mmol), K2CO3 (6.0mmol), and KI (0.7mmol) at 50C for 8h. After the reaction completed, the reaction mixture was concentrated, and the residue was gathered through extraction and concentration, and further purified through quick column chromatography to yield compounds 12a-p.General procedure: To a solution of compound 4 (4.5mmol) in 50mL acetonitrile, was added 11 (8.2mmol), K2CO3 (6.0mmol), and KI (0.7mmol) at 50C for 8h. After the reaction completed, the reaction mixture was concentrated, and the residue was gathered through extraction and concentration, and further purified through quick column chromatography to yield compounds 12a-p.General procedure: To a solution of compound 4 (4.5mmol) in 50mL acetonitrile, was added 11 (8.2mmol), K2CO3 (6.0mmol), and KI (0.7mmol) at 50C for 8h. After the reaction completed, the reaction mixture was concentrated, and the residue was gathered through extraction and concentration, and further purified through quick column chromatography to yield compounds 12a-p.
Used in the synthesis of p-, m-, and ο-bis-(2-chloroethyl)aminomethylcinnamic acid hydrochloride and their esters as inhibitors.
Computed Properties
Molecular Weight:255.11
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:253.99424
Monoisotopic Mass:253.99424
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:205
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate
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