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244392

Sigma-Aldrich

3,3-Dimethyl-1-butyne

98%

Synonym(s):

tert-Butylacetylene

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About This Item

Linear Formula:
(CH3)3CC≡CH
CAS Number:
917-92-0
Molecular Weight:
82.14
Beilstein/REAXYS Number:
1697100
EC Number:
213-035-3
MDL number:
MFCD00008852
UNSPSC Code:
12352100
PubChem Substance ID:
24854672
NACRES:
NA.22

vapor pressure

7.88 psi ( 20 °C)

assay

98%

form

liquid

refractive index

n20/D 1.374 (lit.)

bp

37-38 °C (lit.)

mp

−78 °C (lit.)

density

0.667 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CC(C)(C)C#C

InChI

1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3

InChI key

PPWNCLVNXGCGAF-UHFFFAOYSA-N

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Application

3,3-Dimethyl-1-butyne was 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.

accessory

Product No.
Description
Pricing

pictograms

Flame
GHS02

signalword

Danger

hcodes

H225,H412

Hazard Classifications

Aquatic Chronic 3 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

-21.1 °F

flash_point_c

-29.5 °C

ppe

Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BGBC3172V
BGBC2434V
BGBB6698V
USJJH001250
BGBB7871

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Karl Matos et al.
The Journal of organic chemistry, 63(3), 461-470 (2001-10-24)
Both erythro and threo isomers of B-(3,3-dimethyl-1,2-dideuterio-1-butyl)-9-BBN (6) were prepared from 3,3-dimethyl-1-butyne (4) through a hydroboration-deuteronolysis-hydroboration sequence employing first 9-BBN-H and then 9-BBN-D, or in reverse order, respectively. Employing the Whitesides protocol, the stereochemistry of B --> Pd alkyl group
E Fontana et al.
Current drug metabolism, 6(5), 413-454 (2005-10-27)
The inhibition of human cytochrome P450s (CYPs) is one of the most common mechanisms which can lead to drug-drug interactions. The inhibition of CYPs can be reversible (competitive or non-competitive) or irreversible. Irreversible inhibition usually derives from activation of a

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