244392
3,3-Dimethyl-1-butyne
98%
Synonym(s):
tert-Butylacetylene
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About This Item
Linear Formula:
(CH3)3CC≡CH
CAS Number:
Molecular Weight:
82.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
213-035-3
Beilstein/REAXYS Number:
1697100
MDL number:
Assay:
98%
Form:
liquid
vapor pressure
7.88 psi ( 20 °C)
Quality Level
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
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.
signalword
Danger
hcodes
Hazard Classifications
Aquatic Chronic 3 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 2
flash_point_f
-21.1 °F
flash_point_c
-29.5 °C
ppe
Eyeshields, Faceshields, Gloves
Regulatory Information
危险化学品
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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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 244392-5G | 04061825759906 |
| 244392-25G | 04061838135124 |