| Identification | Back Directory | [Name]
Benzonitrile, 4-amino-3-methoxy- (9CI) | [CAS]
177476-76-5 | [Synonyms]
3-Methoxy-4-aminobenz
4-Cyano-2-Methoxy-aniline
3-Methoxy-4-aminobenzonitrile
Benzonitrile, 4-aMino-3-Methoxy-
4-Amino-3-methoxybenzenecarbonitrile
Benzonitrile, 4-amino-3-methoxy- (9CI) | [Molecular Formula]
C8H8N2O | [MDL Number]
MFCD13250177 | [MOL File]
177476-76-5.mol | [Molecular Weight]
148.16 |
| Chemical Properties | Back Directory | [Melting point ]
46-48 °C | [Boiling point ]
297.5±30.0 °C(Predicted) | [density ]
1.17±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [pka]
1.66±0.10(Predicted) | [Appearance]
Light yellow to brown Solid |
| Hazard Information | Back Directory | [Synthesis]
The general procedure for the synthesis of 3-methoxy-4-aminobenzonitrile from 3-methoxy-4-nitrobenzonitrile was as follows: 3-methoxy-4-nitrobenzonitrile (11.4 g, 64 mmol) was suspended in ethyl acetate (60 mL) and 10% Pd/C catalyst (1 g) was added. The reaction mixture was placed in a Parr reactor under hydrogen atmosphere and vigorously shaken at 50 psi for 45 min at room temperature. Upon completion of the reaction, the mixture was filtered through a short pad of diatomaceous earth and the filtrate was concentrated to afford 4-amino-3-methoxybenzonitrile as a yellow oil, which rapidly solidified to a solid (9.5 g, 95% yield). | [References]
[1] Patent: US2011/130398, 2011, A1. Location in patent: Page/Page column 34
[2] Patent: US2011/269809, 2011, A1. Location in patent: Page/Page column 13
[3] Patent: US2012/46306, 2012, A1. Location in patent: Page/Page column 33
[4] Journal of Medicinal Chemistry, 2000, vol. 43, # 6, p. 1187 - 1202
[5] Patent: US5506252, 1996, A |
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