3-phenyl-1H-pyrazole-4-carbaldehyde
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3-phenyl-1H-pyrazole-4-carbaldehyde
structure -
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CAS No:
26033-20-5
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Formula:
C10H8N2O
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Chemical Name:
3-phenyl-1H-pyrazole-4-carbaldehyde
- Categories:
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CAS No:
3-phenyl-1H-pyrazole-4-carbaldehyde Basic Attributes
172.187
172.06400
157355
DTXSID10303211
2933199090
Characteristics
45.8
1.3
1.248g/cm3
146-148ºC
421.7°C at 760 mmHg
210.3ºC
1.646
10.3 [ug/mL]
2.55E-07mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
37/39-26
Xi
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (98.45%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 129 companies from 3 notifications to the ECHA C&L Inventory.
3-phenyl-1H-pyrazole-4-carbaldehyde Use and Manufacturing
General procedure: To a solution of compound 2 (0.03 mol) in 10 mL absolute alcohol, N-phenylhydrazinecarboxamide (0.03 mol) was added and refluxed for 2 h. After cooling, the precipitation was filtered and recrystallized with ethanol to give the compound 5a-5l.General procedure: To a solution of compound 2 (0.03 mol) in 10 mL absolute alcohol, N-phenylhydrazinecarboxamide (0.03 mol) was added and refluxed for 2 h. After cooling, the precipitation was filtered and recrystallized with ethanol to give the compound 5a-5l.General procedure: To a solution of compound 2 (0.03 mol) in 10 mL absolute alcohol, N-phenylhydrazinecarboxamide (0.03 mol) was added and refluxed for 2 h. After cooling, the precipitation was filtered and recrystallized with ethanol to give the compound 5a-5l.General procedure: To a solution of compound 2 (0.03 mol) in 10 mL absolute alcohol, N-phenylhydrazinecarboxamide (0.03 mol) was added and refluxed for 2 h. After cooling, the precipitation was filtered and recrystallized with ethanol to give the compound 5a-5l.To a solution of compound 2 (R1 = H, 0.03 mol) in 10mL absolute alcohol, thiosemicarbazide (0.03 mol) was added and stirred for 2 h at room temperature. After cooling, the precipitation was filtered and recrystallized with ethanol to give the compound 4h.General procedure: To a solution of compound 2 (5 mmol) in 20 mL of acetonitrile, K2CO3 (6 mmol) and dimethyl sulphate or bromopropane or benzyl chloride (6 mmol) was added. The mixture was stirred and refluxed for 3-5 h. Upon completion, the solvent was removed, and the residue was extracted with dichloromethane (30 mL × 3). The combined organic layers were dried over anhydrous MgSO4 and concentrated in vacuo to obtain a white crude solid of 3, which was directly used in the next step without purification.General procedure: To a solution of compound 2 (5 mmol) in 20 mL of acetonitrile, K2CO3 (6 mmol) and dimethyl sulphate or bromopropane or benzyl chloride (6 mmol) was added. The mixture was stirred and refluxed for 3-5 h. Upon completion, the solvent was removed, and the residue was extracted with dichloromethane (30 mL × 3). The combined organic layers were dried over anhydrous MgSO4 and concentrated in vacuo to obtain a white crude solid of 3, which was directly used in the next step without purification.General procedure: To a solution of compound 2 (5 mmol) in 20 mL of acetonitrile, K2CO3 (6 mmol) and dimethyl sulphate or bromopropane or benzyl chloride (6 mmol) was added. The mixture was stirred and refluxed for 3-5 h. Upon completion, the solvent was removed, and the residue was extracted with dichloromethane (30 mL × 3). The combined organic layers were dried over anhydrous MgSO4 and concentrated in vacuo to obtain a white crude solid of 3, which was directly used in the next step without purification.
Computed Properties
Molecular Weight:172.18
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:172.063662883
Monoisotopic Mass:172.063662883
Topological Polar Surface Area:45.8
Heavy Atom Count:13
Complexity:178
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-phenyl-1H-pyrazole-4-carbaldehyde
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