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Merck
CN

16505

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57647572
MDL number:
MFCD00000246
Beilstein/REAXYS Number:
1745755
Assay:
≥90% (GC)

Key Documents

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InChI

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

SMILES string

COC(=O)\C=C\CBr

InChI key

RWIKCBHOVNDESJ-NSCUHMNNSA-N

grade

technical

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

Quality Level

100

Related Categories

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

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

197.6 °F

flash_point_c

92 °C

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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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