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ChemicalBook--->CAS DataBase List--->71254-71-2

71254-71-2

71254-71-2 Structure

71254-71-2 Structure
IdentificationBack Directory
[Name]

Ethyl4-methylamino-3-nitrobenzoate
[CAS]

71254-71-2
[Synonyms]

-3-nitrobenzoate
Ethyl4-methylamino-3-nitrobenzoate
4-(Methylamino)-3-nitro-benzoic acid ethylester
Benzoic acid, 4-(methylamino)-3-nitro-, ethyl ester
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C10H12N2O4
[MDL Number]

MFCD09746194
[MOL File]

71254-71-2.mol
[Molecular Weight]

224.21
Chemical PropertiesBack Directory
[Melting point ]

101 °C
[Boiling point ]

372.8±32.0 °C(Predicted)
[density ]

1.280±0.06 g/cm3(Predicted)
[storage temp. ]

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

-2.62±0.25(Predicted)
[Appearance]

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


GHS07
[Signal word ]

Warning
[Hazard statements ]

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

P261-P280-P305+P351+P338
[HS Code ]

2922390090
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl4-methylamino-3-nitrobenzoate(71254-71-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

Ethyl 4-fluoro-3-nitrobenzoate

367-80-6

Methylamine

74-89-5

Ethyl4-methylamino-3-nitrobenzoate

71254-71-2

Ethyl 4-fluoro-3-nitrobenzoate (10.0 g, 46.9 mmol) prepared in Step 1-1-1 was dissolved in methanol (40 mL) and triethylamine (10 mL, 70.4 mmol) was added. A 40% methylamine-methanol solution (5.50 g, 70.4 mmol) was slowly added to the reaction mixture under ice bath cooling conditions. The reaction mixture was stirred continuously for 1 h under ice bath cooling and then ice water was added to quench the reaction. The precipitate was separated by filtration and washed with cold water. The washed product was subjected to cyclic drying overnight to afford ethyl 4-methylamino-3-nitrobenzoate (10.4 g, 99% yield) as a yellow powder.1H-NMR (CDCl3) δ: 8.87 (d, J = 1.9 Hz, 1H), 8.33 (brs, 1H), 8.08 (dd, J = 1.9, 9.2 Hz, 1H), 6.87- 6.84 (m, 1H), 4.35 (q, J = 6.9 Hz, 2H), 3.08 (d, J = 5.0 Hz, 3H), 1.38 (t, J = 6.9 Hz, 3H). Mass spectrum (m/z): 224 (M+), 179, 105 (base peak).

[References]

[1] Patent: US2013/79306, 2013, A1. Location in patent: Paragraph 0230; 0231; 0232; 0233
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