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A14013 3,3-Dimethyl-1-butyne, 98%

CAS Number
917-92-0
Synonyms
tert-Butylacetylene

Stock No. Size Price ($) Quantity Availability
A14013-06 5g 64.40
A14013-14 25g 217.00
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3,3-Dimethyl-1-butyne, 98%

MDL
MFCD00008852
EINECS
213-035-3

Chemical Properties

Formula
C6H10
Formula Weight
82.15
Melting point
-78°
Boiling Point
37-38°
Flash Point
<-34°(-29°F)
Density
0.671
Refractive Index
1.3745
Storage & Sensitivity
Keep Cold.
Solubility
Miscible with chloroform, benzene and toluene. Immiscible with water.

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.

Notes

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

Literature 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.

GHS Hazard and Precautionary Statements

Hazard Statements: H225-H315-H319-H335

Highly flammable liquid and vapour. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.

Precautionary Statements: P210-P233-P235-P240-P241-P242-P243-P261-P264b-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P363-P370+P378q-P501c

Keep away from heat/sparks/open flames/hot surfaces. - No smoking. Keep container tightly closed. Keep cool. Ground/bond container and receiving equipment. Use explosion-proof electrical/ventilating/lighting/ equipment. Use only non-sparking tools. Take precautionary measures against static discharge. Avoid breathing dust/fume/gas/mist/vapours/spray. Wash face, hands and any exposed skin thoroughly after handling Use only outdoors or in a well-ventilated area. Wear protective gloves/protective clothing/eye protection/face protection. IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Call a POISON CENTER or doctor/physician if you feel unwell. If skin irritation occurs: Get medical advice/attention. If eye irritation persists: Wash contaminated clothing before reuse. In case of fire: Use CO2, dry chemical, or foam Dispose of contents/ container to an approved waste disposal plant

Other References

Beilstein
1697100
Hazard Class
3
Packing Group
I
Harmonized Tariff Code
2901.29
TSCA
No

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