ChemicalBook--->CAS DataBase List--->35998-96-0

35998-96-0

35998-96-0 Structure

35998-96-0 Structure
IdentificationBack Directory
[Name]

Methyl 5-aMino-2-nitro benzoate
[CAS]

35998-96-0
[Synonyms]

Methyl 5-aMino-2-nitro benzoate
5-aMino-2-nitro-benzoic acid Methyl ester
Benzoic acid, 5-amino-2-nitro-, methyl ester
[Molecular Formula]

C8H8N2O4
[MDL Number]

MFCD12913482
[MOL File]

35998-96-0.mol
[Molecular Weight]

196.16
Chemical PropertiesBack Directory
[Melting point ]

98-100 °C
[Boiling point ]

394.5±22.0 °C(Predicted)
[density ]

1.386±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[pka]

-0.15±0.10(Predicted)
[Appearance]

Light yellow to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Chemical Properties]

Reddish brown solid
[Synthesis]

Methanol

67-56-1

5-Amino-2-nitrobenzoic acid

13280-60-9

Methyl 5-aMino-2-nitro benzoate

35998-96-0

5-Amino-2-nitrobenzoic acid (Compound A) (910 mg) was dissolved in methanol (50 mL). Thionyl chloride (0.74 mL) was added slowly and dropwise to the above solution under cooling in an ice bath. Subsequently, the reaction mixture was heated to reflux for 12 hours. Upon completion of the reaction, the reaction solution was cooled to room temperature and concentrated under reduced pressure. The residue was purified by column chromatography using a chloroform-methanol solvent mixture as eluent to finally obtain methyl 5-amino-2-nitrobenzoate (410 mg, 42% yield).

[References]

[1] Tetrahedron Letters, 2005, vol. 46, # 44, p. 7477 - 7481
[2] Patent: EP1614676, 2006, A1. Location in patent: Page/Page column 179
[3] European Journal of Medicinal Chemistry, 2012, vol. 57, p. 468 - 482
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 5-aMino-2-nitro benzoate(35998-96-0)1HNMR
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