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HomeProduct name list1-BROMO-2-BUTYNE

1-BROMO-2-BUTYNE

  • CAS NO.:3355-28-0
  • Empirical Formula: C4H5Br
  • Molecular Weight: 132.99
  • MDL number: MFCD00190233
  • EINECS: 608-891-3
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-09-13 19:17:58
1-BROMO-2-BUTYNE Structural

What is 1-BROMO-2-BUTYNE?

Chemical properties

Clear pale yellow-greenish liquid

The Uses of 1-BROMO-2-BUTYNE

1-Bromo-2-butyne is used in the preparation of six to eight annulated ring compounds in reaction with indoles and pseudopterane (+/-)-Kallolide B, which is a marine natural product. Further, it acts as a precursor in the preparation of axially chiral teranyl compounds, alkylation of L-tryptophan methyl ester, 4-butynyloxybenzene sulfonyl chloride and mono-propargylated diene derivative. In addition to this, it is also used in the synthesis of isopropylbut-2-ynylamine, allenylcyclobutanol derivatives, allyl-[4-(but-2-ynyloxy)phenyl]sulfane, allenylindium and axially chiral teranyl compounds.

What are the applications of Application

1-Bromo-2-butyne is a chemical whic his exploited in the synthesis of axially chiral teranyl compounds

Preparation

1-bromo-2-butyne is obtained by reacting 2-butyn-1-ol and organic solvent, pyridine.First react bromoethane with metal magnesium in THF to prepare Grignard reagent, then add paraformaldehyde to Grignard reagent for Grignard reaction, separate and recover after Grignard reaction 2-butyn-1-ol, then mix 2-butyn-1-ol with organic solvent and pyridine, add phosphorus tribromide dropwise for bromination reaction, separate and recover the product after bromination reaction.

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.

Properties of 1-BROMO-2-BUTYNE

Boiling point: 40-41 °C/20 mmHg (lit.)
Density  1.519 g/mL at 25 °C (lit.)
refractive index  n20/D 1.508(lit.)
Flash point: 97 °F
storage temp.  Inert atmosphere,Room Temperature
solubility  Miscible with acetonitrile.
form  Liquid
color  Clear pale yellow-greenish
Specific Gravity 1.519
BRN  605306
CAS DataBase Reference 3355-28-0(CAS DataBase Reference)

Safety information for 1-BROMO-2-BUTYNE

Signal word Warning
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

Computed Descriptors for 1-BROMO-2-BUTYNE

InChIKey LNNXOEHOXSYWLD-UHFFFAOYSA-N

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