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| | 4-(CYANOMETHYL)BENZOIC ACID Basic information |
| | 4-(CYANOMETHYL)BENZOIC ACID Chemical Properties |
| Boiling point | 361.6±25.0 °C(Predicted) | | density | 1.257±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | pka | 4.04±0.10(Predicted) | | form | crystalline solid | | color | Off-white/faint yellow |
| RIDADR | 2811 | | HazardClass | 6.1 | | PackingGroup | Ⅲ | | HS Code | 2926907090 |
| | 4-(CYANOMETHYL)BENZOIC ACID Usage And Synthesis |
| Synthesis | General procedure for the synthesis of 4-(cyanomethyl)benzoic acid from methyl 4-(cyanomethyl)benzoate: Methyl 4-(cyanomethyl)benzoate (25 g, 0.14 mol) was dissolved in 300 mL of methanol, followed by the addition of 160 mL of a 1N NaOH solution, and the reaction was carried out at reflux for 3 hours. Upon completion of the reaction, most of the solvent was evaporated under reduced pressure. To the residue, 500 mL of water was added and the pH was adjusted to 2-3 with concentrated hydrochloric acid.The precipitated solid was filtered, washed with water and dried to give 4-(cyanomethyl)benzoic acid (21.2 g, 92.2% yield) as a white solid. The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 12.89 (brs, 1H), 7.87 (d, J=8.2 Hz, 2H), 7.37 (d, J=8.2 Hz, 2H), 3.45 (s, 2H); MS (EI): 161 [M]+. | | References | [1] European Journal of Medicinal Chemistry, 2014, vol. 87, p. 765 - 781
[2] Patent: CN103724269, 2016, B. Location in patent: Paragraph 0610; 0611; 0626; 0627; 0628; 0629
[3] Patent: WO2011/69647, 2011, A1. Location in patent: Page/Page column 31
[4] Patent: EP2343287, 2011, A1. Location in patent: Page/Page column 21 |
| | 4-(CYANOMETHYL)BENZOIC ACID Preparation Products And Raw materials |
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