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87031-30-9,MFCD00051761
Catalog No.:AA003JTV

87031-30-9 | 3-tert-Butyl-1-methyl-2-pyrazolin-5-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$54.00   $38.00
- +
5g
98%
in stock  
$178.00   $125.00
- +
25g
98%
in stock  
$826.00   $578.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003JTV
Chemical Name:
3-tert-Butyl-1-methyl-2-pyrazolin-5-one
CAS Number:
87031-30-9
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
MDL Number:
MFCD00051761
SMILES:
O=C1CC(=NN1C)C(C)(C)C
Properties
Properties
 
Form:
Solid  
MP:
150-152°C  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
213  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Freidmann;Hansel[ArchivderPharmazie,1983,vol.316,#8,p.726-727]

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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SDS
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Tags:87031-30-9 Molecular Formula|87031-30-9 MDL|87031-30-9 SMILES|87031-30-9 3-tert-Butyl-1-methyl-2-pyrazolin-5-one