3,3-Dimethyl-1-butyne

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
3,3-Dimethyl-1-butyne Structure
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.)
Fp <−30 °F
storage temp. 2-8°C
solubility Chloroform (Slightly), Methanol (Slightly)
form Liquid
color Clear colorless
PH7.51 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 Reference917-92-0(CAS DataBase Reference)
NIST Chemistry Reference1-Butyne, 3,3-dimethyl-(917-92-0)
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 Information
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3,3-Dimethyl-1-butyne Usage And Synthesis
Chemical Propertiescolourless liquid
Uses3,3-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
4-tert-Butylcatechol 4-tert-Butylphenol Recombinant Human Telomerase tert-Butyldimethylsilyl chloride tert-Butyl hydroperoxide ETHANE 1-BUTYNE Dimethyl sulfide Dimethyl fumarate 1-Hexyne Dimethyl sulfoxide 2,6-Di-tert-butylphenol Dimethyl ether Di-tert-butyl peroxide 3-Methyl butynol DI-TERT-BUTYL ETHER Dimethyl phthalate Tri-tert-butylphosphine

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