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1988-88-1,MFCD00156137
Catalog No.:AA002BO5

1988-88-1 | 3,5-Di-tert-butyl-4-hydroxybenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
1 week  
$111.00   $78.00
- +
5g
97%
1 week  
$202.00   $141.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002BO5
Chemical Name:
3,5-Di-tert-butyl-4-hydroxybenzonitrile
CAS Number:
1988-88-1
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
MDL Number:
MFCD00156137
SMILES:
N#Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
NSC Number:
226258
Properties
Properties
 
Form:
Solid  
MP:
144 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
288  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
4.6  

Downstream Synthesis Route

[1]Cohen[JournalofOrganicChemistry,1957,vol.22,p.1333]

[2]Mueller,E.etal.[JustusLiebigsAnnalenderChemie,1961,vol.645,p.36-52]

[3]Mueller,E.etal.[JustusLiebigsAnnalenderChemie,1961,vol.645,p.36-52]

[1]JournalofOrganicChemistryUSSR(EnglishTranslation),1989,vol.25,p.1540-1548    ZhurnalOrganicheskoiKhimii,1989,vol.25,p.1706-1715

1139-52-2    1988-88-1    101213-98-3   
N,N'-dithiobis(2,6-di-t-butyl-1,4-benzoquinoneimine) 

[1]JournalofChemicalResearch,Miniprint,1985,p.3649-3665

[1]Mueller,E.etal.[JustusLiebigsAnnalenderChemie,1961,vol.645,p.36-52]

[1]Mullican;Wilson;Connor;Kostlan;Schrier;Dyer[JournalofMedicinalChemistry,1993,vol.36,#8,p.1090-1099]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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