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134612-80-9

134612-80-9 Structure

134612-80-9 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack 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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