ChemicalBook--->CAS DataBase List--->199536-01-1

199536-01-1

199536-01-1 Structure

199536-01-1 Structure
IdentificationBack Directory
[Name]

3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER
[CAS]

199536-01-1
[Synonyms]

3-Amino-5-cyano-benzoic acid me
3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER
Benzoic acid, 3-amino-5-cyano-, methyl ester
3-Amino-5-cyano-benzoic acid methyl ester 95+%
3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER >98%
[Molecular Formula]

C9H8N2O2
[MDL Number]

MFCD08060133
[MOL File]

199536-01-1.mol
[Molecular Weight]

176.17
Chemical PropertiesBack Directory
[Melting point ]

128°C
[Boiling point ]

371.5±27.0 °C(Predicted)
[density ]

1.26±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

1?+-.0.10(Predicted)
[Appearance]

Yellow to brown Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302+H312+H332-H314-H317-H290
[Precautionary statements ]

P501-P261-P272-P270-P234-P271-P264-P280-P390-P362+P364-P303+P361+P353-P333+P313-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P406-P405
[HS Code ]

2916399090
Spectrum DetailBack Directory
[Spectrum Detail]

3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER(199536-01-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-CYANO-5-NITRO-BENZOIC ACID METHYL ESTER

99066-80-5

3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER

199536-01-1

General procedure for the synthesis of methyl 3-amino-5-cyanobenzoate from methyl 3-cyano-5-nitrobenzoate: 10% Pd/C catalyst (0.9 g) was added to a mixed solution of methanol (200 mL) and tetrahydrofuran (100 mL) containing methyl 3-cyano-5-nitrobenzoate (25 mmol). Subsequently, the reaction mixture was stirred at room temperature for 4 hours. Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated to afford methyl 3-amino-5-cyanobenzoate in 95% yield.

[References]

[1] Patent: US2009/118292, 2009, A1. Location in patent: Page/Page column 29
[2] Chemistry - A European Journal, 2015, vol. 21, # 52, p. 19231 - 19242
[3] Angewandte Chemie - International Edition, 2004, vol. 43, # 48, p. 6649 - 6652
[4] Patent: WO2011/137587, 2011, A1. Location in patent: Page/Page column 55
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