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1,2-Dihydro-1-phenyl-3H-pyrazol-3-one

1,2-Dihydro-1-phenyl-3H-pyrazol-3-one structure

CAS No:
1008-79-3
Formula:
C9H8N2O
Chemical Name:
1,2-Dihydro-1-phenyl-3H-pyrazol-3-one
Synonyms:
3H-Pyrazol-3-one,1,2-dihydro-1-phenyl-;Pyrazol-3-ol,1-phenyl-;3-Pyrazolin-5-one,2-phenyl-;1,2-Dihydro-1-phenyl-3H-pyrazol-3-one;1-Phenyl-3-hydroxypyrazole;1-Phenyl-1,2-dihydropyrazol-3-one;1-Phenyl-2,3-dihydro-1H-pyrazol-3-one;1-Phenyl-1H-pyrazol-3-ol;2-Phenyl-1H-pyrazol-5-one;3-Hydroxy-1-phenyl-1H-pyrazole;18811-69-3;30342-52-0

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1,2-Dihydro-1-phenyl-3H-pyrazol-3-one Basic Attributes

Molecular Weight：

160.176

Exact Mass：

160.17

HScode：

2933199090

Characteristics

PSA：

32.3

XLogP3：

1.4

Density：

1.1846 (rough estimate)

Melting Point：

155-156 °C

Boiling Point：

206-218 °C @ Press: 33 Torr

Flash Point：

112.1ºC

Refractive Index：

1.5570 (estimate)

Water Solubility：

17.8 [ug/mL]

Vapor Pressure：

0.0113mmHg at 25°C

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1,2-Dihydro-1-phenyl-3H-pyrazol-3-one Use and Manufacturing

1-Phenylpyrrolidin-3-one (82.99mmoM.0eq)Dissolved with 5percent aqueous sodium hydroxide solution, Add ferric chloride hexahydrate (16.60 mmol, 0.2 eq), and pass the system to oxygen and keep the temperature at 80 °C. After the reaction is completed, add water to the reaction solution to quench the reaction, and adjust ΡΗ=1~2 with hydrochloric acid. The mixture was extracted with ethyl acetate. The organic layer was washed with saturated brine and dried over anhydrous sodium sulfate.Concentrated under reduced pressure, and the residue was purified by column chromatography (eluent: PE: ΕΑ = 2:1)The pale yellow solid product 1-phenyl-1H-pyrazol-3-ol (1.46 g, yield 11percent)

Computed Properties

Molecular Weight:160.17
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:160.063662883
Monoisotopic Mass:160.063662883
Topological Polar Surface Area:32.3
Heavy Atom Count:12
Complexity:207
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2-Dihydro-1-phenyl-3H-pyrazol-3-one

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

1,2-Dihydro-1-phenyl-3H-pyrazol-3-one

SDS

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