ChemicalBook--->CAS DataBase List--->58287-76-6

58287-76-6

58287-76-6 Structure

58287-76-6 Structure
IdentificationBack Directory
[Name]

4-FORMYL-N,N-DIMETHYL-BENZAMIDE
[CAS]

58287-76-6
[Synonyms]

130912
4-FORMYL-N,N-DIMETHYL-BENZAMIDE
Benzamide, 4-formyl-N,N-dimethyl-
4-(N,N-DIMETHYLCARBAMOYL)BENZALDEHYDE
[Molecular Formula]

C10H11NO2
[MDL Number]

MFCD07186279
[MOL File]

58287-76-6.mol
[Molecular Weight]

177.2
Chemical PropertiesBack Directory
[Boiling point ]

345.6±25.0 °C(Predicted)
[density ]

1.133±0.06 g/cm3(Predicted)
[storage temp. ]

Store at Room Tem.
[form ]

solid
[pka]

-1.66±0.70(Predicted)
[Appearance]

white solid
Hazard InformationBack Directory
[Synthesis]

4-Formylbenzoic acid

619-66-9

N,N-Dimethylformamide

68-12-2

4-FORMYL-N,N-DIMETHYL-BENZAMIDE

58287-76-6

Example 101 Synthesis of 4-formyl-N,N-dimethylbenzamide: To an anhydrous dichloromethane (8 mL) suspension of 4-formylbenzoic acid (4.00 g, 26.7 mmol), thionyl chloride (2.92 g, 40.0 mmol) and N,N-dimethylformamide (0.6 mL) were added sequentially. The reaction was carried out dropwise at room temperature under nitrogen protection. Subsequently, the reaction mixture was heated to reflux for 2 hours. Upon completion of the reaction, it was cooled to room temperature and then slowly added dropwise to 33% aqueous dimethylamine solution (10.5 mL, 72 mmol) in an ice-water bath for 15 minutes. After the dropwise addition, the reaction mixture was continued to be stirred at the same temperature for 1 hour. At the end of the reaction, the solvent was removed by distillation under reduced pressure. The crude product was purified by silica gel column chromatography to afford the title compound (2.5 g, 53% yield) as a yellow solid. ^1H-NMR (400 MHz, DMSO-d6) δ (ppm): 2.86 (s, 3H), 3.30 (s, 3H), 7.60 (d, J = 7.6 Hz, 2H), 7.95 (d, J = 7.6 Hz, 2H), 10.04 (s, 1H); LC-MS (ESI) m/z: 178 (M + 1)+.

[References]

[1] Patent: WO2011/130661, 2011, A1. Location in patent: Page/Page column 153
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