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79-74-3,MFCD00027029
Catalog No.:AA003FYC

79-74-3 | 2,5-Di-tert-pentylbenzene-1,4-diol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
>93.0%(GC)
in stock  
$42.00   $29.00
- +
500g
>93.0%(GC)
in stock  
$298.00   $208.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003FYC
Chemical Name:
2,5-Di-tert-pentylbenzene-1,4-diol
CAS Number:
79-74-3
Molecular Formula:
C16H26O2
Molecular Weight:
250.3764
MDL Number:
MFCD00027029
SMILES:
CCC(c1cc(O)c(cc1O)C(CC)(C)C)(C)C
Properties
Properties
 
BP:
364.8°C at 760 mmHg  
Form:
Solid  
MP:
179 °C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
242  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5.6  

Downstream Synthesis Route

[1]Ishii,Fumio;Kishi,Ken-ichi[Synthesis,1980,#9,p.706-708]

[2]Koenigs;Mai[ChemischeBerichte,1892,vol.25,p.2650]

[3]McKillop,A.etal.[Tetrahedron,1970,vol.26,p.4031-4039]

[1]Koenigs;Mai[ChemischeBerichte,1892,vol.25,p.2650]

[1]Koenigs;Mai[ChemischeBerichte,1892,vol.25,p.2650]

79-74-3    1204-28-0   
C34H30O10 

[1]Polymer,2015,vol.74,p.1-15

Literature

Title: Discovery of novel SERCA inhibitors by virtual screening of a large compound library.

Journal: European journal of medicinal chemistry 20110501

Title: Design, synthesis, and biological evaluation of hydroquinone derivatives as novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase.

Journal: Bioorganic & medicinal chemistry 20090915

Title: Bond dissociation enthalpies of polyphenols: the importance of cooperative effects.

Journal: The Journal of organic chemistry 20020208

Quotation Request
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SDS
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Tags:79-74-3 Molecular Formula|79-74-3 MDL|79-74-3 SMILES|79-74-3 2,5-Di-tert-pentylbenzene-1,4-diol
Catalog No.: AA003FYC
79-74-3,MFCD00027029
79-74-3 | 2,5-Di-tert-pentylbenzene-1,4-diol
Pack Size： 25g
Purity： >93.0%(GC)
in stock
$42.00 $29.00
Pack Size： 500g
Purity： >93.0%(GC)
in stock
$298.00 $208.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003FYC
Chemical Name: 2,5-Di-tert-pentylbenzene-1,4-diol
CAS Number: 79-74-3
Molecular Formula: C16H26O2
Molecular Weight: 250.3764
MDL Number: MFCD00027029
SMILES: CCC(c1cc(O)c(cc1O)C(CC)(C)C)(C)C
Properties
BP: 364.8°C at 760 mmHg  
Form: Solid  
MP: 179 °C  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 242  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5.6  
Downstream Synthesis Route
79-74-3    4584-63-8 

[1]Ishii,Fumio;Kishi,Ken-ichi[Synthesis,1980,#9,p.706-708]

[2]Koenigs;Mai[ChemischeBerichte,1892,vol.25,p.2650]

[3]McKillop,A.etal.[Tetrahedron,1970,vol.26,p.4031-4039]

64-17-5    79-74-3    7705-08-0    4584-63-8 

[1]Koenigs;Mai[ChemischeBerichte,1892,vol.25,p.2650]

4584-63-8    64-19-7    79-74-3 

[1]Koenigs;Mai[ChemischeBerichte,1892,vol.25,p.2650]

79-74-3    1204-28-0   
C34H30O10 

[1]Polymer,2015,vol.74,p.1-15

64-17-5    90-05-1    1020-31-1    128-39-2    2934-05-6    2078-54-8    2934-07-8    4130-42-1    2444-28-2    87-97-8    1138-52-9    1879-09-0    52417-48-8    17540-75-9    2050-46-6    21112-37-8    5076-72-2    79-74-3    120-95-6    876-20-0    33963-27-8    59056-76-7    131358-04-8    1620-98-0 

[1]RSCAdvances,2019,vol.9,p.2764-2771

Literature fold

Title: Discovery of novel SERCA inhibitors by virtual screening of a large compound library.

Journal: European journal of medicinal chemistry20110501

Title: Design, synthesis, and biological evaluation of hydroquinone derivatives as novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase.

Journal: Bioorganic & medicinal chemistry20090915

Title: Bond dissociation enthalpies of polyphenols: the importance of cooperative effects.

Journal: The Journal of organic chemistry20020208

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