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Home Nitro Compounds 134612-80-9
134612-80-9,MFCD12545750
Catalog No.:AA009F1F

134612-80-9 | (4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
98%
in stock  
$100.00   $70.00
- +
250mg
98%
in stock  
$234.00   $164.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009F1F
Chemical Name:
(4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone
CAS Number:
134612-80-9
Molecular Formula:
C15H13NO5
Molecular Weight:
287.2674
MDL Number:
MFCD12545750
SMILES:
COc1cc(cc(c1O)[N+](=O)[O-])C(=O)c1ccc(cc1)C
Properties
Computed Properties
 
Complexity:
386  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3.6  

Upstream Synthesis Route

[1]SyntheticCommunications,2008,vol.38,#5,p.810-815

[2]Patent:US5236952,1993,A,

[1]Patent:US5236952,1993,A,

Downstream Synthesis Route
1-(4-hydroxy-3-methoxyphenyl)-1-(4-methylphenyl)methanone 
  134612-80-9 

[1]SyntheticCommunications,2008,vol.38,p.810-815

[2]Patent:US5877353,1999,A

[1]SyntheticCommunications,2008,vol.38,p.810-815

[2]Patent:US5236952,1993,A

[1]Patent:US5236952,1993,A

Literature

Title: Optimizing levodopa pharmacokinetics with multiple tolcapone doses in the elderly.

Journal: Clinical pharmacology and therapeutics 19970901

Title: Jorga K, et al. Metabolism and excretion of tolcapone, a novel inhibitor of catechol-O-methyltransferase. Br J Clin Pharmacol. 1999 Oct;48(4):513-20.

Title: Ceravolo R, et al. 18F-dopa PET evidence that tolcapone acts as a central COMT inhibitor in Parkinson's disease. Synapse. 2002 Mar 1;43(3):201-7.

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SDS
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Tags:134612-80-9 Molecular Formula|134612-80-9 MDL|134612-80-9 SMILES|134612-80-9 (4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone