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3,3-Dimethyl-1-butyne

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3,3-Dimethyl-1-butyne Basic information

Product Name:
3,3-Dimethyl-1-butyne
Synonyms:
  • TERT-BUTYLACETYLENE
  • T-BUTYL ACETYLENE
  • 3,3-DIMETHYL-1-BUTYNE(INTERMEDIATE OF TERBINAFINE)
  • 1-Butyne, 3,3-dimethyl- (6CI, 8CI, 9CI)
  • 3,3-DIMETHYL-1-BUTYNE(TERT-BUTYLACETYLENE)
  • 3.3-DIMETHYL-1-BUTYNE 97+%
  • TERT-BUTYLETHYNE
  • Neohexyne
CAS:
917-92-0
MF:
C6H10
MW:
82.14
EINECS:
213-035-3
Product Categories:
  • Terbinafine
  • Acetylenes
  • PHARMACEUTICAL INTERMEDIATES
  • Acetylenic Hydrocarbons
Mol File:
917-92-0.mol
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3,3-Dimethyl-1-butyne Chemical Properties

Melting point:
-78 °C (lit.)
Boiling point:
37-38 °C (lit.)
Density 
0.667 g/mL at 25 °C (lit.)
vapor pressure 
7.88 psi ( 20 °C)
refractive index 
n20/D 1.374(lit.)
Flash point:
<−30 °F
storage temp. 
2-8°C
solubility 
Chloroform (Slightly), Methanol (Slightly)
form 
Liquid
color 
Clear colorless
PH
7.51 at 24.8℃ and 10g/L
Water Solubility 
Miscible with chloroform, benzene and toluene. Immiscible with water.
BRN 
1697100
Stability:
Stable, but highly flammable. Readily forms explosive mixtures with air. Note low flash point.
CAS DataBase Reference
917-92-0(CAS DataBase Reference)
NIST Chemistry Reference
1-Butyne, 3,3-dimethyl-(917-92-0)
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Safety Information

Hazard Codes 
F+,Xi
Risk Statements 
12-36/37/38
Safety Statements 
3-16-26-33-7/9
RIDADR 
UN 3295 3/PG 2
WGK Germany 
3
HazardClass 
3
PackingGroup 
I
HS Code 
29012990

MSDS

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3,3-Dimethyl-1-butyne Usage And Synthesis

Chemical Properties

colourless liquid

Uses

3,3-Dimethyl-1-butyne is used as an active pharmaceutical intermediate for terbinafine. It is also used in the preparation of 2,2,7,7-tetramethyl-octa-3,5-diyne. Further, it is used in the synthesis of erythro and threo isomers of B-(3,3-dimethyl-1,2-dideuterio-1-butyl)-9-BBN by hydroboration-deuteronolysis-hydroboration sequence.

Synthesis Reference(s)

Tetrahedron Letters, 25, p. 2089, 1984 DOI: 10.1016/S0040-4039(01)81168-0

3,3-Dimethyl-1-butyne Preparation Products And Raw materials

Preparation Products

Raw materials

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