| Identification | More | [Name]
4-Pyrazol-1-yl-benzaldehyde | [CAS]
99662-34-7 | [Synonyms]
4-(1H-PYRAZOL-1-YL)BENZALDEHYDE
4-(1H-PYRAZOL-1-YL)BENZENECARBALDEHYDE
4-(1-PYRAZOLYL)BENZALDEHYDE
4-PYRAZOL-1-YL-BENZALDEHYDE
ASINEX-REAG BAS 08767263
CHEMBRDG-BB 4004820
TIMTEC-BB SBB010131
4-(1h-pyrazol-1-yl)benzaldehyde, 95+%
4-PYRAZOL-1-YL-BENZALDEHYDE, 95+%
1-(4-Formylphenyl)pyrazole | [Molecular Formula]
C10H8N2O | [MDL Number]
MFCD02681938 | [Molecular Weight]
172.18 | [MOL File]
99662-34-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
82-83°C | [Boiling point ]
310.1±25.0 °C(Predicted) | [density ]
1.15±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
powder | [pka]
-0.34±0.10(Predicted) | [color ]
Yellow | [InChI]
InChI=1S/C10H8N2O/c13-8-9-2-4-10(5-3-9)12-7-1-6-11-12/h1-8H | [InChIKey]
PPGRDLZPSDHBIC-UHFFFAOYSA-N | [SMILES]
C(=O)C1=CC=C(N2C=CC=N2)C=C1 | [CAS DataBase Reference]
99662-34-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
WGK 3 | [HazardClass ]
IRRITANT | [HS Code ]
2933199090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Synthesis]
To a solution of 4-Fluorobenzaldehyde (10 g, 80.6 mmol) in dry DMF (100 mL) were added pyrazole (5.5 g, 80.6 mmol) and K2C03 (12.2 g, 88.7 mmol). The resulting solution was stirred at 100 °C for overnight. After cooling to RT, the residue was treated with water and extracted with EA. The organic extracts were washed with water and brine, dried over anhydrous Na2SO4, filtered and concentrated to give a crude oil. The crude product was purified by recrystallization to afford 4-Pyrazol-1-yl-benzaldehyde (4 g, 29 percent).1HNMR (CDC13, 300 MHz) ?: 6.5-6.6 (s, 1 H), 7.7-7.8 (s, 1 H), 7.9-8.0 (d, 2 H), 8.0-8.1 (d, 2 H), 8.1-8.2 (s, 1 H), 10.0-10.1 (s, 1 H).
| [References]
[1] ChemCatChem, 2014, vol. 6, # 8, p. 2373 - 2383
[2] Patent: WO2016/77232, 2016, A2. Location in patent: Page/Page column 51
[3] Tetrahedron, 2008, vol. 64, # 10, p. 2471 - 2479
[4] Bulletin of the Chemical Society of Japan, 2008, vol. 81, # 4, p. 515 - 517
[5] Inorganic Chemistry, 2010, vol. 49, # 1, p. 331 - 338 |
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