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16503

Methyl 2-bromo-2-butenoate

(cis+trans), ≥95.0% (GC)

Synonym(s):

Methyl 2-bromocrotonate

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About This Item

Linear Formula:
CH3CH=CBrCOOCH3
CAS Number:
17642-18-1
Molecular Weight:
179.01
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57647571
EC Number:
241-627-1
Beilstein/REAXYS Number:
1700999
MDL number:
MFCD00042891
Assay:
≥95.0% (GC)
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Quality Segment

200

assay

≥95.0% (GC)

refractive index

n20/D 1.486

bp

178-182 °C (lit.)

density

1.505 g/mL at 20 °C (lit.)

functional group

bromo, ester

storage temp.

2-8°C

SMILES string

COC(=O)C(Br)=CC

InChI

1S/C5H7BrO2/c1-3-4(6)5(7)8-2/h3H,1-2H3

InChI key

DMKWWKUPZZAUQL-UHFFFAOYSA-N

General description

Methyl 2-bromo-2-butenoate(Methyl (Z)-2-bromocrotonate) yields (S)-2-bromobutanoic acid by baker′s yeast fermentation. It undergoes biotransformation catalyzed by old yellow enzyme to yield methyl (S)-2-bromobutanoate, a key intermediate for the synthesis of chiral drugs. It is a biannelating reagent which participates in double Michael-additions.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

145.4 °F - closed cup

flash_point_c

63 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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