| Identification | Back Directory | [Name]
Benzoic acid, 4-cyano-, hydrazide (9CI) | [CAS]
43038-36-4 | [Synonyms]
4CNPhCON2
4-cyano-benzhydrazide
4-Cyanobenzoylhydrazine
4-cyanobenzoic hydrazide
4-Cyan-benzoesaeure-hydrazid
4-cyanobenzoic acid hydrazide
4-cyano-benzoic acid hydrazide
Benzoic acid, p-cyano-, hydrazide
Benzoic acid, 4-cyano-, hydrazide
4-cyanobenzohydrazide(SALTDATA: FREE)
Benzoic acid, 4-cyano-, hydrazide (9CI) | [Molecular Formula]
C8H7N3O | [MDL Number]
MFCD03014503 | [MOL File]
43038-36-4.mol | [Molecular Weight]
161.16 |
| Chemical Properties | Back Directory | [Melting point ]
202-203 °C | [density ]
1.28±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [pka]
11?+-.0.10(Predicted) | [Appearance]
White to off-white Solid |
| Hazard Information | Back Directory | [Synthesis]
Part A. Synthesis of 4-cyanobenzoic acid hydrazide
A mixture of methyl 4-cyanobenzoate (10.8 g, 67 mmol) and hydrazine monohydrate (18.6 g, 371 mmol) in anhydrous ethanol (70 mL) was heated to reflux for 3 hours. Upon completion of the reaction, the mixture was cooled to room temperature. The solid product formed was collected by filtration and washed with cold ethanol (20 mL). Subsequently, the product was dried to give 4-cyanobenzoylhydrazine (8.7 g, 81% yield). The melting point of the product was 201 °C. 1H NMR (300 MHz, CDCl3) δ 4.14 (s, 2H), 7.40 (s, 1H), 7.76 (d, J = 8 Hz, 2H), 7.88 (d, J = 8 Hz, 2H); MS (NH3-Cl) calculated value (M + 1)+: 162, measured value: 162. | [References]
[1] Bollettino Chimico Farmaceutico, 1999, vol. 138, # 8, p. 432 - 436
[2] Patent: US5668159, 1997, A
[3] Patent: WO2012/76898, 2012, A1. Location in patent: Page/Page column 71
[4] Journal of Medicinal Chemistry, 2013, vol. 56, # 7, p. 3012 - 3023
[5] Patent: WO2010/139966, 2010, A1. Location in patent: Page/Page column 123 |
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