3,3-Dimethyl-1-butyne, 98%

CAS: 917-92-0 | C6H10 | 82.146 g/mol

Catalog Number	Quantity
A14013.14 also known as A14013-14	25 g

Catalog number A14013.14

also known as A14013-14

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Chemical Identifiers

CAS917-92-0

IUPAC Name3,3-dimethylbut-1-yne

Molecular FormulaC6H10

InChI KeyPPWNCLVNXGCGAF-UHFFFAOYSA-N

SMILESCC(C)(C)C#C

Specifications

Assay (GC)≥97.5%

Appearance (Color)Clear colorless to pale yellow

FormLiquid

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Miscible with chloroform, benzene and toluene. Immiscible with water.

Notes
Store in a cool place. Incompatible with strong oxidizing agents.

RUO – Research Use Only

General References:

1-Alkynes react with Schwartz's reagent, (Bis(cyclopentadienyl) zirconium hydridochloride, L15164), to give vinyl zirconium complexes, which undergo conjugate addition to enones in the presence of a nickel catalyst: J. Am. Chem. Soc., 99, 8045 (1977):
Gao, P.; Wang, Z.; Wang, X.; Zhang, W.; Gao, Z. Linear and V-Shaped Alkynyl-1,3,5-triazines. Eur. J. Org. Chem. 2015, 2015 (32), 7020-7027.
Liu, D.; Qiu, Z.; Xie, Z. Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl. Inorg. Chem. Front. 2015, 2 (5), 467-472.