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772-38-3,MFCD00190197
Catalog No.:AA003D1O

772-38-3 | 4-(tert-Butyl)phenylacetylene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$9.00   $7.00
- +
5g
95%
in stock  
$33.00   $23.00
- +
10g
95%
in stock  
$62.00   $43.00
- +
25g
95%
in stock  
$112.00   $78.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003D1O
Chemical Name:
4-(tert-Butyl)phenylacetylene
CAS Number:
772-38-3
Molecular Formula:
C12H14
Molecular Weight:
158.2396
MDL Number:
MFCD00190197
SMILES:
C#Cc1ccc(cc1)C(C)(C)C
Properties
Properties
 
BP:
70 °C2 mm Hg(lit.)  
Form:
Liquid  
Refractive Index:
1.528-1.53  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
178  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Rotatable Bond Count:
2  
XLogP3:
3.8  

Literature

Title: Thr302 is the site for the covalent modification of human cytochrome P450 2B6 leading to mechanism-based inactivation by tert-butylphenylacetylene.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20111201

Title: Structural analysis of mammalian cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene: insight into partial enzymatic activity.

Journal: Biochemistry 20110607

Title: Targeting of the highly conserved threonine 302 residue of cytochromes P450 2B family during mechanism-based inactivation by aryl acetylenes.

Journal: Archives of biochemistry and biophysics 20110301

Title: Covalent modification of Thr302 in cytochrome P450 2B1 by the mechanism-based inactivator 4-tert-butylphenylacetylene.

Journal: The Journal of pharmacology and experimental therapeutics 20100601

Title: Defining the structural consequences of mechanism-based inactivation of mammalian cytochrome P450 2B4 using resonance Raman spectroscopy.

Journal: Journal of the American Chemical Society 20100210

Title: Mechanism-based inactivation of CYP2B1 and its F-helix mutant by two tert-butyl acetylenic compounds: covalent modification of prosthetic heme versus apoprotein.

Journal: The Journal of pharmacology and experimental therapeutics 20091101

Title: tert-Butylphenylacetylene is a potent mechanism-based inactivator of cytochrome P450 2B4: inhibition of cytochrome P450 catalysis by steric hindrance.

Journal: Molecular pharmacology 20091101

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