| Identification | Back Directory | [Name]
3-METHOXY-4-HYDROXY-5-NITROBENZYL,4'-METHYLBENZYL KETONE | [CAS]
134612-80-9 | [Synonyms]
Ro 40-7591
3-O-methyltolcapone
4-Hydroxy-3-methoxy-4'-methyl-5-nit
4-Hydroxy-3-Methoxy-4-Methyl-5-nitrobenzophenone
(4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone
3-METHOXY-4-HYDROXY-5-NITROBENZYL,4'-METHYLBENZYL KETONE
1-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-p-tolylpropan-2-one
(4-Hydroxy-3-Methoxy-5-nitrophenyl)(4-Methylphenyl)Methanone
Methanone, (4-hydroxy-3-methoxy-5-nitrophenyl)(4-methylphenyl)-
1-(4-hydroxy-3-Methoxy-5-nitrophenyl)-1-(4-Methylphenyl)Methanone
1-(4-Hydroxy-3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)propan-2-one | [Molecular Formula]
C15H13NO5 | [MDL Number]
MFCD08703705 | [MOL File]
134612-80-9.mol | [Molecular Weight]
287.27 |
| Chemical Properties | Back Directory | [Melting point ]
135-137 °C(Solv: ethanol (64-17-5)) | [Boiling point ]
474.8±45.0 °C(Predicted) | [density ]
1.317±0.06 g/cm3(Predicted) | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
4.97±0.38(Predicted) | [color ]
Yellow to Dark Orange | [Major Application]
pharmaceutical (small molecule) | [InChI]
1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3 | [InChIKey]
VCNSNEJUGBEWTA-UHFFFAOYSA-N | [SMILES]
[N+](=O)([O-])c1c(c(cc(c1)C(=O)c2ccc(cc2)C)OC)O |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow Solid | [Uses]
3-O-Methyl Tolcapone is a metabolite of the catechol-O-Methyl transferase inhibitor Tolcapone (T535250). | [Definition]
ChEBI: 3-O-methyltolcapone is a member of benzophenones. | [Preparation]
Preparation by nitration of 4-hydroxy-3- methoxy-4′-methylbenzophenone with 65% nitric acid in acetic acid at 20°. |
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