alpha-(Bromomethyl)cinnamic acid

Base Information

• Chemical Name: alpha-(Bromomethyl)cinnamic acid
• CAS No.: 98061-65-5
• Molecular Formula: C10H9BrO2
• Molecular Weight: 241.084
• European Community (EC) Number: 631-190-9
• Nikkaji Number: J673.138D,J2.800.779E

Synonyms:alpha-(bromomethyl)cinnamic acid;PBFLFNQSKSBNRO-RMKNXTFCSA-N;alpha-(Bromomethyl)benzeneacrylic acid;AKOS024338428;(Z)-2-Bromomethyl-3-phenyl-acrylic acid;(Z)-2-bromomethyl-3-phenylpropenoic acid;2-[(Z)-Benzylidene]-3-bromopropionic acid

Chemical Property of alpha-(Bromomethyl)cinnamic acid

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 239.97859
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=C(CBr)C(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)/C=C(\CBr)/C(=O)O

Technology Process of alpha-(Bromomethyl)cinnamic acid

There total 1 articles about alpha-(Bromomethyl)cinnamic acid 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%

tert-butyl 2-(hydroxy(phenyl)methyl)acrylate (135513-98-3) → 2-bromomethyl-3-phenyl-2-propenoic acid (98061-65-5)

Guidance literature:

With sulfuric acid; hydrogen bromide; In dichloromethane; at 0 - 20 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2009.04.053

Reference yield: 88.0%

2-bromomethyl-3-phenyl-2-propenoic acid (98061-65-5) + N-benzyl-N′-phenylcarbodiimide (4172-92-3) → (Z)-N-(benzylcarbamoyl)-2-(bromomethyl)-N,3-diphenylacrylamide (1394001-76-3)

Guidance literature:

In dichloromethane; at 20 ℃; regiospecific reaction;

DOI:10.1016/j.tetlet.2012.06.109

Reference yield: 61.0%

2-bromomethyl-3-phenyl-2-propenoic acid (98061-65-5) → C30H24O6

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; for 1h;

DOI:10.1016/j.tetlet.2009.04.053

upstream raw materials:

tert-butyl 2-(hydroxy(phenyl)methyl)acrylate

Downstream raw materials:

(Z)-N-(benzylcarbamoyl)-2-(bromomethyl)-N,3-diphenylacrylamide

(E)-1-benzyl-5-benzylidene-3-phenyldihydropyrimidine-2,4(1H,3H)-dione

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