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:
Molecular Weight:
179.01
Beilstein:
1745755
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
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
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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
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