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ChemicalBook--->CAS DataBase List--->30650-90-9

30650-90-9

30650-90-9 Structure

30650-90-9 Structure
IdentificationBack Directory
[Name]

ETHYL 3-METHYL-4-NITROBENZOATE
[CAS]

30650-90-9
[Synonyms]

ethyl 4-nitro-m-toluate
ETHYL 3-METHYL-4-NITROBENZOATE
Ethyl 4-Nitro-3-Methyl benzoate
3-methyl-4-nitrobenzoic acid ethyl ester
Benzoic acid, 3-methyl-4-nitro-, ethyl ester
[Molecular Formula]

C10H11NO4
[MDL Number]

MFCD00115804
[MOL File]

30650-90-9.mol
[Molecular Weight]

209.2
Chemical PropertiesBack Directory
[Melting point ]

53-55°C
[Boiling point ]

331.3±30.0 °C(Predicted)
[density ]

1.216±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2916310090
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 3-METHYL-4-NITROBENZOATE(30650-90-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-Methyl-4-nitrobenzoic acid

3113-71-1

Iodoethane

75-03-6

ETHYL 3-METHYL-4-NITROBENZOATE

30650-90-9

A. Synthesis of ethyl 3-methyl-4-nitrobenzoate. A mixture of 3-methyl-4-nitrobenzoic acid (362.3 g, 2.0 mol), N,N-dimethylformamide (200 mL), sodium bicarbonate (200 g, 2.38 mol), and ethyl iodide (623.9 g, 4.0 mol) was stirred for 18 hr. at 70 °C. Upon completion of the reaction, the mixture was cooled to room temperature and poured into water (2000 mL). The resulting solid product was collected by filtration, washed with water and dried. Subsequently, the solid was further washed with hexane and dried to afford the title compound ethyl 3-methyl-4-nitrobenzoate (382.1 g, 91% yield) as an off-white solid with a melting point of 51-52.5°C. The structure of the product was confirmed by 1H NMR (CDCl3) and mass spectrometry (NH3-Cl):1H NMR (CDCl3) δ 8.04-7.98 (m, 3H 3H), 4.42 (q, 2H), 2.63 (s, 3H), 1.42 (t, 3H); mass spectrum (NH3-Cl) m/z 210 (100%, M+H+).

[References]

[1] Patent: US2001/44535, 2001, A1
[2] Patent: US5760028, 1998, A
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