427292
1-Bromo-2-butyne
≥98%
Synonym(s):
1-(Bromomethyl)-2-methylacetylene, 2-Butyn-1-yl bromide, 2-Butynyl bromide, 4-Bromobut-2-yne
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About This Item
Linear Formula:
CH3C≡CCH2Br
CAS Number:
Molecular Weight:
132.99
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
605306
Assay:
≥98%
Form:
liquid
Quality Level
assay
≥98%
form
liquid
refractive index
n20/D 1.508 (lit.)
bp
40-41 °C/20 mmHg (lit.)
density
1.519 g/mL at 25 °C (lit.)
functional group
alkyl halide, bromo
SMILES string
CC#CCBr
InChI
1S/C4H5Br/c1-2-3-4-5/h4H2,1H3
InChI key
LNNXOEHOXSYWLD-UHFFFAOYSA-N
General description
1-Bromo-2-butyne is a propargyl bromide derivative. It is one of the constitutional isomer of bromo butyne. Its Br-loss threshold photoionization breakdown diagram has been analyzed to derive dissociative photoionization thresholds to C4H5+ production. It participates in the preparation of linagliptin.
Application
1-Bromo-2-butyne was used in the alkylation of L-tryptophan methyl ester. It was used as a source to generate CH3CCCH2 radicals to investigate the reaction kinetics of these radicals with NO and NO2.
It may be used in the synthesis of the following:
It may be used in the synthesis of the following:
- 4-butynyloxybenzene sulfonyl chloride
- mono-propargylated diene derivative
- isopropylbut-2-ynylamine
- allenylcyclobutanol derivatives
- allyl-[4-(but-2-ynyloxy)phenyl]sulfane
- allenylindium
- alkynyl alcohols
- axially chiral teranyl compounds
Exploited in the synthesis of axially chiral teranyl compounds.
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Kinetics of resonance stabilized CH3CCCH2 radical reactions with NO and NO2.
Rissanen MP, et al.
Chemical Physics Letters, 543, 28-33 (2012)
Acetylenic TACE inhibitors. Part 1. SAR of the acyclic sulfonamide hydroxamates.
Levin JI, et al.
Bioorganic & Medicinal Chemistry Letters, 13(16), 2799-2803 (2003)
Imaging breakdown diagrams for bromobutyne isomers with photoelectron-photoion coincidence.
Bodi A and Hemberger P.
Physical Chemistry Chemical Physics, 16(2), 505-515 (2014)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 427292-5G | 04061832104539 |
| 427292-1G | 04061832104522 |