427292

1-Brom-2-butin

≥98%

• Synonym(e): 1-(Bromomethyl)-2-methylacetylene, 2-Butyn-1-yl bromide, 2-Butynyl bromide, 4-Bromobut-2-yne
• Lineare Formel: CH₃C≡CCH₂Br
• CAS-Nummer: 3355-28-0
• Molekulargewicht: 132.99
• Beilstein: 605306
• MDL-Nummer: MFCD00190233
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24866752
• NACRES: NA.22

Eigenschaften

• Assay: ≥98%
• Form: liquid
• Brechungsindex: n20/D 1.508 (lit.)
• bp: 40-41 °C/20 mmHg (lit.)
• Dichte: 1.519 g/mL at 25 °C (lit.)
• SMILES String: CC#CCBr
• InChI: 1S/C4H5Br/c1-2-3-4-5/h4H2,1H3
• InChIKey: LNNXOEHOXSYWLD-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

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.

Anwendung

Exploited in the synthesis of axially chiral teranyl compounds.

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:

• 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

Sicherheitshinweise

• Piktogramme: GHS02
• Signalwort: Warning
• H-Sätze: H226
• Gefahreneinstufungen: Flam. Liq. 3
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 3
• Flammpunkt (°F): 96.8 °F - closed cup
• Flammpunkt (°C): 36 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter