ChemicalBook--->CAS DataBase List--->177476-76-5

177476-76-5

177476-76-5 Structure

177476-76-5 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H302-H332-H315-H312-H335
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[HazardClass ]

IRRITANT
[HS Code ]

2921420090
Spectrum DetailBack Directory
[Spectrum Detail]

Benzonitrile, 4-amino-3-methoxy- (9CI)(177476-76-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

BENZONITRILE, 3-METHOXY-4-NITRO-

177476-75-4

Benzonitrile, 4-amino-3-methoxy- (9CI)

177476-76-5

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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