3,3-Dimethyl-1-Butyne

Base Information

Chemical Name:3,3-Dimethyl-1-Butyne
CAS No.:917-92-0
Molecular Formula:C6H10
Molecular Weight:82.1454
Hs Code.:29012990
European Community (EC) Number:213-035-3
UNII:PX4NL23U52
DSSTox Substance ID:DTXSID70238671
Nikkaji Number:J132.792E
Wikidata:Q72469598
ChEMBL ID:CHEMBL1908221
Mol file:917-92-0.mol

Synonyms:3,3-dimethyl-1-butyne;t-butyl acetylene

Suppliers and Price of 3,3-Dimethyl-1-Butyne

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
tert-Butylethyne
5g
$ 110.00

TCI Chemical
3,3-Dimethyl-1-butyne >96.0%(GC)
10mL
$ 48.00

TCI Chemical
3,3-Dimethyl-1-butyne >96.0%(GC)
100mL
$ 281.00

Synthonix
3,3-Dimethylbutyne 97%
100g
$ 420.00

Synthonix
3,3-Dimethylbutyne 97%
25g
$ 110.00

Synthonix
3,3-Dimethylbutyne 97%
5g
$ 35.00

SynQuest Laboratories
3,3-Dimethylbut-1-yne 95%
5 g
$ 55.00

SynQuest Laboratories
3,3-Dimethylbut-1-yne 95%
25 g
$ 205.00

Sigma-Aldrich
3,3-Dimethyl-1-butyne 98%
25g
$ 215.00

Sigma-Aldrich
3,3-Dimethyl-1-butyne 98%
5g
$ 55.30

Total 172 raw suppliers

Chemical Property of 3,3-Dimethyl-1-Butyne

Chemical Property:

Appearance/Colour:colourless liquid
Vapor Pressure:7.88 psi ( 20 °C)
Melting Point:-78 °C
Refractive Index:n20/D 1.374(lit.)
Boiling Point:37.7 °C at 760 mmHg
Flash Point:-34 °C
PSA：0.00000
Density:0.668 g/cm³
LogP:1.66570
Storage Temp.:2-8°C
Water Solubility.:Miscible with chloroform, benzene and toluene. Immiscible with water.
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:1
Exact Mass:82.078250319
Heavy Atom Count:6
Complexity:73.9

Purity/Quality:

99% ^*data from raw suppliers

tert-Butylethyne ^*data from reagent suppliers

Safty Information:

Pictogram(s): F+, Xi
Hazard Codes:F+,Xi
Statements: 12-36/37/38
Safety Statements: 3-16-26-33-7/9

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Aliphatics, Unsaturated
Canonical SMILES:CC(C)(C)C#C
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.

Technology Process of 3,3-Dimethyl-1-Butyne

There total 56 articles about 3,3-Dimethyl-1-Butyne which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

: 594-84-3
2,2-dichloro-3,3-dimethylbutane

: 917-92-0
3,3-Dimethylbut-1-yne

Guidance literature:: With 18-crown-6 ether; potassium tert-butylate; In Petroleum ether; at 60 ℃; for 2h;

Reference yield: 91.0%

: 640-21-1
1,2-dibromo-3,3-dimethylbutane

: 917-92-0
3,3-Dimethylbut-1-yne

Guidance literature:: With 18-crown-6 ether; potassium tert-butylate; In Petroleum ether; at 60 ℃; for 2h;

Reference yield: 91.0%

: 931-48-6
2-cyclohexylacetylene

: 1610010-33-7
N-benzyl-4,4-dimethylpent-2-yn-1-amine

: 917-92-0
3,3-Dimethylbut-1-yne

: N-benzyl-3-cyclohexylprop-2-yn-1-amine

Guidance literature:: With Lu(N(SiMe₃)2)3; In toluene; at 130 ℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique; Sealed tube;
DOI:10.1002/anie.201605822