ChemicalBook--->CAS DataBase List--->72005-84-6

72005-84-6

72005-84-6 Structure

72005-84-6 Structure
IdentificationBack Directory
[Name]

Benzaldehyde, 2-methyl-4-nitro-
[CAS]

72005-84-6
[Synonyms]

2-Methyl-4-nitrobenzaldehyde
Benzaldehyde, 2-methyl-4-nitro-
[Molecular Formula]

C8H7NO3
[MOL File]

72005-84-6.mol
[Molecular Weight]

165.15
Chemical PropertiesBack Directory
[Melting point ]

69-70 °C
[Boiling point ]

321.1±30.0 °C(Predicted)
[density ]

1.278±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[Appearance]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[HS Code ]

2913000090
Spectrum DetailBack Directory
[Spectrum Detail]

Benzaldehyde, 2-methyl-4-nitro-(72005-84-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-METHYL-4-NITROBENZONITRILE  98

89001-53-6

Benzaldehyde,  2-methyl-4-nitro-

72005-84-6

The general procedure for the synthesis of 2-methyl-4-nitrobenzonitrile from 2-methyl-4-nitrobenzaldehyde was as follows: first, 2-methyl-4-nitrobenzonitrile (1 g, 6.17 mmol) was dissolved in anhydrous toluene (24.0 ml). Subsequently, the solution was cooled to 0 °C and a toluene solution of DIBAL-H (4.35 ml, 7.4 mmol) was added slowly and dropwise over a period of 10 min. The reaction mixture was stirred continuously at 0 °C for 2 hours. Upon completion of the reaction, the reaction was quenched by addition of 2N HCl (1 ml) at 0°C. After warming the mixture to room temperature, 2N HCl (1 ml) was added and sodium sulfate was added under vigorous stirring. The solid was removed by filtration and the solvent was evaporated to obtain the crude product. Finally, the crude product was purified by fast chromatography (using heptane/ethyl acetate as eluent) to give 2-methyl-4-nitrobenzaldehyde as an orange solid (0.68 g, 67% yield).

[References]

[1] Patent: WO2014/79850, 2014, A1. Location in patent: Page/Page column 54
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