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Key Documents

168440

Sigma-Aldrich

α,β-Dibromohydrocinnamic acid

≥99%

Synonym(s):

2,3-dibromo-3-phenylpropanoic acid

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About This Item

Linear Formula:
C6H5CH(Br)CH(Br)CO2H
CAS Number:
Molecular Weight:
307.97
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

≥99%

form

powder

mp

200 °C (dec.) (lit.)

functional group

bromo
carboxylic acid
phenyl

SMILES string

OC(=O)C(Br)C(Br)c1ccccc1

InChI

1S/C9H8Br2O2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,(H,12,13)

InChI key

FXJWTHBNVZNQQP-UHFFFAOYSA-N

General description

Dehydrobromination of α,β-dibromohydrocinnamic acid has been studied in liquid ammonia.

Application

α,β-Dibromohydrocinnamic acid (2,3-dibromo-3-phenylpropanoic acid) was used in one-pot synthesis of enynes via microwave irradiation.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Synthesis of (Z)-1-bromo-1-alkenes and terminal alkynes from anti-2, 3-dibromoalkanoic acids by microwave-induced reaction.
Kuang C, et al.
Tetrahedron, 61(16), 4043-4052 (2005)
Dehydrobromination of a, ?-Dibromohydrocinnamic Acid in Liquid Ammonia1.
Paulson RV and MacGregor WS.
Journal of the American Chemical Society, 73(2), 679-681 (1951)

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