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16505

Sigma-Aldrich

Methyl trans-4-bromo-2-butenoate

technical, ≥90% (GC)

Synonym(s):

Methyl 4-bromocrotonate

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About This Item

Linear Formula:
BrCH2CH=CHCOOCH3
CAS Number:
6000-00-6
Molecular Weight:
179.01
Beilstein:
1745755
MDL number:
MFCD00000246
UNSPSC Code:
12352100
PubChem Substance ID:
57647572
NACRES:
NA.22

grade

technical

Quality Level

100

Assay

≥90% (GC)

contains

silver wool as stabilizer

impurities

~3% methyl cis-4-bromo-2-butenoate

refractive index

n20/D 1.501

bp

70 °C/0.03 mmHg (lit.)

density

1.498 g/mL at 20 °C (lit.)

functional group

bromo
ester

storage temp.

2-8°C

SMILES string

COC(=O)\C=C\CBr

InChI

1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+

InChI key

RWIKCBHOVNDESJ-NSCUHMNNSA-N

Application

Methyl trans-4-bromo-2-butenoate (Methyl 4-bromocrotonate) was used in the synthesis of highly substituted benzoxepines or benzopyrans and L-α-amino [4,5-3H]adipic acid.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

197.6 °F

Flash Point(C)

92 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCCD4249
0000049809
0000028226
0000024245
0000019029

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J O'Sullivan et al.
The Biochemical journal, 184(2), 421-426 (1979-11-15)
1. delta-(L-alpha-Amino[4,5-3H]adipyl)-L-cysteinyl-D-[4,4-3H]valine has been synthesized from its constituent amino acids, the L-alpha-amino[4,5-3H]adipic acid being obtained by reduction with 3H2 of methyl 5-acetamido-5,5-diethoxycarbonylpent-2-enoate and subsequent decarboxylation and hydrolysis. 2. In a cell-free system prepared by lysis of protoplasts of Cephalosporium acremonium
An Allylpalladium (IV) Intermediate in the Synthesis of Highly Substituted Benzoxepines and Benzopyrans via Reactions of Stable Pallada (II) cycles with Allyl Bromides.
Guo R, et al.
Organometallics, 26(15), 3784-3783 (2007)

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