phenylhydrazine hydrochloride
acrylic acid methyl ester
1-phenylpyrazolidin-3-one
Conditions | Yield |
---|---|
With sodium methylate In methanol; toluene at 30℃; Reflux; | 75% |
Stage #1: phenylhydrazine hydrochloride With sodium methylate In ethanol at 40℃; for 0.5h; Stage #2: acrylic acid methyl ester In ethanol Reflux; |
Conditions | Yield |
---|---|
With hydrogenchloride | |
With sulfuric acid | |
Multi-step reaction with 3 steps 2: LiAlH4 3: aqueous H2SO4 View Scheme |
ethyl-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-amine
1-phenylpyrazolidin-3-one
Conditions | Yield |
---|---|
With sulfuric acid |
3-hydroxy-propionic acid-(N'-phenyl-hydrazide)
1-phenylpyrazolidin-3-one
Conditions | Yield |
---|---|
With phosphoric acid | |
With toluene-4-sulfonic acid; xylene Abdestillieren des entstandenen H2O; |
Conditions | Yield |
---|---|
With ethanol; sodium ethanolate |
Conditions | Yield |
---|---|
With ethanol; sodium ethanolate |
ethanol
sodium ethanolate
phenylhydrazine
ethyl acrylate
benzene
1-phenylpyrazolidin-3-one
Conditions | Yield |
---|---|
With ethanol; sodium ethanolate; benzene | |
With triethylamine |
3-(N'-phenyl-hydrazino)-propionitrile
1-phenylpyrazolidin-3-one
Conditions | Yield |
---|---|
With hydrogenchloride | |
Multi-step reaction with 2 steps 1: aqueous HCl 2: concentrated aqueous HCl View Scheme |
Conditions | Yield |
---|---|
With alkali |
Conditions | Yield |
---|---|
With water | |
With ethanol | |
With benzene |
A
1-phenylpyrazolidin-3-one
Conditions | Yield |
---|---|
With sodium ethanolate Behandeln mit Wasser und Essigsaeure; |
N-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-acetamide
1-phenylpyrazolidin-3-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: LiAlH4 2: aqueous H2SO4 View Scheme |
ethyl 3-phenylaminopropionate
1-phenylpyrazolidin-3-one
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: diluted hydrochloric acid; NaNO2 2: aluminium amalgam; diethyl ether 3: sodium ethylate / Behandeln mit Wasser und Essigsaeure View Scheme |
N-nitroso-N-phenyl-β-alanine ethyl ester
1-phenylpyrazolidin-3-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aluminium amalgam; diethyl ether 2: sodium ethylate / Behandeln mit Wasser und Essigsaeure View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: 80 °C 2: diluted hydrochloric acid; NaNO2 3: aluminium amalgam; diethyl ether 4: sodium ethylate / Behandeln mit Wasser und Essigsaeure View Scheme | |
Multi-step reaction with 2 steps 1.1: hydrogenchloride; sodium nitrite / water / 0.33 h / Cooling with ice 1.2: 2 h / -10 - -5 °C 2.1: sodium methylate / ethanol; toluene / 16 h / 40 - 45 °C View Scheme | |
Multi-step reaction with 2 steps 1: sodium nitrite; tin(ll) chloride 2: toluene View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: sodium ethylate; ethanol 3: LiAlH4 4: aqueous H2SO4 View Scheme | |
Multi-step reaction with 2 steps 1: sodium ethylate; ethanol 2: aqueous H2SO4 View Scheme | |
Multi-step reaction with 2 steps 2: concentrated aqueous HCl View Scheme | |
Multi-step reaction with 3 steps 2: aqueous HCl 3: concentrated aqueous HCl View Scheme | |
Multi-step reaction with 2 steps 2: toluene-4-sulfonic acid; xylene / Abdestillieren des entstandenen H2O View Scheme |
Conditions | Yield |
---|---|
Stage #1: ethyl acrylate With sodium methylate In ethanol; toluene at 40 - 45℃; for 1h; Stage #2: phenylhydrazine hydrochloride In ethanol; toluene at 45℃; for 15h; | |
With sodium methylate In ethanol; toluene at 40 - 45℃; for 16h; |
Conditions | Yield |
---|---|
In toluene |
1-phenylpyrazolidin-3-one
N-cyclopentyl-O-benzoylhydroxylamine
Conditions | Yield |
---|---|
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate; Trimethylacetic acid In toluene at 20℃; Catalytic behavior; Solvent; Temperature; | 97% |
Conditions | Yield |
---|---|
With chloro-trimethyl-silane Heating; | 96% |
1-phenylpyrazolidin-3-one
N-(4,4-diethoxybutyl)-4-methylbenzenesulfonylamide
Conditions | Yield |
---|---|
With trifluoroacetic acid In benzene for 5h; Reflux; | 96% |
1-phenylpyrazolidin-3-one
N-(4-(N-(4,4-diethoxybutyl)sulfamoyl)phenyl)acetamide
Conditions | Yield |
---|---|
With trifluoroacetic acid In benzene for 5h; Reflux; | 95% |
Conditions | Yield |
---|---|
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; palladium diacetate; sodium carbonate In 1,2-dichloro-ethane at 100℃; for 2h; Catalytic behavior; Reagent/catalyst; Solvent; Sealed tube; | 94% |
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; sodium acetate In chlorobenzene at 110℃; for 18h; Reagent/catalyst; Solvent; Schlenk technique; Inert atmosphere; regioselective reaction; | 91% |
1-phenylpyrazolidin-3-one
1-(p-phenylphenyl)oct-1-yne
Conditions | Yield |
---|---|
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; sodium acetate In chlorobenzene at 110℃; for 18h; Schlenk technique; Inert atmosphere; regioselective reaction; | 93% |
Conditions | Yield |
---|---|
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate; Trimethylacetic acid In toluene at 20℃; | 93% |
1-phenylpyrazolidin-3-one
C17H24N2O4
Conditions | Yield |
---|---|
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate; Trimethylacetic acid In toluene at 20℃; | 92% |
Conditions | Yield |
---|---|
With iron(III) chloride hexahydrate at 80℃; | 91% |
With trifluoro-N-(oxo-λ4-sulfanylidene)methanesulfonamide In dichloromethane at -30 - 20℃; Inert atmosphere; | 80% |
With tetrabutylammonium tetrafluoroborate In dichloromethane electrolysis; | 21% |
Conditions | Yield |
---|---|
With hydrogen bromide; dihydrogen peroxide In chloroform; water at 60℃; for 0.5h; Green chemistry; | 91% |
1-phenylpyrazolidin-3-one
benzyl bromide
2-benzyl-1-phenyl-3-pyrazolidinone
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide | 90% |
Conditions | Yield |
---|---|
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; sodium acetate In chlorobenzene at 110℃; for 18h; Schlenk technique; Inert atmosphere; regioselective reaction; | 90% |
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; palladium diacetate; sodium carbonate In 1,2-dichloro-ethane at 100℃; for 2h; Sealed tube; regioselective reaction; | 85% |
1-phenylpyrazolidin-3-one
C12H15NO3
Conditions | Yield |
---|---|
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate; Trimethylacetic acid In toluene at 20℃; | 90% |
1-Phenylprop-1-yne
1-phenylpyrazolidin-3-one
3-(3-methyl-2-phenyl-1H-indol-1-yl)propanamide
Conditions | Yield |
---|---|
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; sodium acetate In chlorobenzene at 110℃; for 18h; Schlenk technique; Inert atmosphere; regioselective reaction; | 89% |
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; palladium diacetate; sodium carbonate In 1,2-dichloro-ethane at 100℃; for 2h; Sealed tube; regioselective reaction; | 65% |
Conditions | Yield |
---|---|
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; sodium acetate In chlorobenzene at 110℃; for 18h; Schlenk technique; Inert atmosphere; regioselective reaction; | 89% |
Conditions | Yield |
---|---|
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; sodium acetate In chlorobenzene at 110℃; for 18h; Schlenk technique; Inert atmosphere; regioselective reaction; | 89% |
1-phenylpyrazolidin-3-one
4-iodo-1-phenyl-1H-pyrazol-3-ol
Conditions | Yield |
---|---|
With sulfuric acid; dihydrogen peroxide; sodium iodide In dichloromethane; water at 25℃; for 2h; | 89% |
1-phenylpyrazolidin-3-one
1-((3,5-dimethoxyphenyl)ethynyl)cyclobutanol
Conditions | Yield |
---|---|
With copper(l) iodide; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium carbonate In 1,2-dichloro-ethane at 50℃; for 12h; Inert atmosphere; | 89% |
1-phenylpyrazolidin-3-one
Conditions | Yield |
---|---|
With copper(l) iodide; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium carbonate In 1,2-dichloro-ethane at 50℃; for 12h; Inert atmosphere; | 89% |
Conditions | Yield |
---|---|
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; sodium acetate In chlorobenzene at 110℃; for 18h; Schlenk technique; Inert atmosphere; regioselective reaction; | 88% |
1-phenylpyrazolidin-3-one
O-benzoyl-N-sec-butylhydroxylamine
Conditions | Yield |
---|---|
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate; Trimethylacetic acid In toluene at 20℃; | 88% |
1-phenylpyrazolidin-3-one
1-(2-phenylethynyl)-1-cyclobutanol
Conditions | Yield |
---|---|
With copper(l) iodide; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium carbonate In 1,2-dichloro-ethane at 50℃; for 12h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Inert atmosphere; | 88% |
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium acetate In dichloromethane at 60℃; for 8h; | 85% |
1-phenylpyrazolidin-3-one
Conditions | Yield |
---|---|
With copper(l) iodide; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium carbonate In 1,2-dichloro-ethane at 50℃; for 12h; Inert atmosphere; | 88% |
1-phenylpyrazolidin-3-one
Conditions | Yield |
---|---|
With copper(l) iodide; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium carbonate In 1,2-dichloro-ethane at 50℃; for 12h; Inert atmosphere; | 88% |
Conditions | Yield |
---|---|
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; zinc diacetate; sodium acetate In toluene at 100℃; for 4h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Sealed tube; | 88% |
Conditions | Yield |
---|---|
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; sodium acetate In chlorobenzene at 110℃; for 18h; Schlenk technique; Inert atmosphere; regioselective reaction; | 87% |
Conditions | Yield |
---|---|
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; palladium diacetate; sodium carbonate In 1,2-dichloro-ethane at 100℃; for 2h; Sealed tube; | 87% |
1-phenylpyrazolidin-3-one
4-cyclopropyl-2-methylbut-3-yn-2-yl acetate
Conditions | Yield |
---|---|
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium acetate In 1,2-dichloro-ethane at 100℃; for 12h; | 87% |
1-phenylpyrazolidin-3-one
ethyl 1,1-dimethyl-3-phenylpropargyl acetate
Conditions | Yield |
---|---|
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium acetate In 1,2-dichloro-ethane at 100℃; for 12h; Catalytic behavior; Reagent/catalyst; Solvent; | 87% |
1-phenylpyrazolidin-3-one
1-((4-methylphenyl)ethynyl)cyclobutanol
Conditions | Yield |
---|---|
With copper(l) iodide; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium carbonate In 1,2-dichloro-ethane at 50℃; for 12h; Inert atmosphere; | 87% |
The IUPAC name of Phenidone is 1-phenylpyrazolidin-3-one. With the CAS registry number 92-43-3, it is also named as 2-Pyrazolin-3-ol, 1-phenyl-; Fenidon. In addiotion, this chemical is light beige powder or crystals which is soluble in hot water. And it is stable, but light sensitive. It is also incompatible with strong acids, strong oxidizing agents, strong bases.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.05; (8)ACD/KOC (pH 7.4): 29.82; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.578; (13)Molar Refractivity: 45.32 cm3; (14)Molar Volume: 136.4 cm3; (15)Polarizability: 17.96×10-24 cm3; (16)Surface Tension: 45.2 dyne/cm; (17)Enthalpy of Vaporization: 57.49 kJ/mol; (18)Vapour Pressure: 0.000393 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 3; (21)Exact Mass: 162.079313; (22)MonoIsotopic Mass: 162.079313; (23)Topological Polar Surface Area: 32.3; (24)Heavy Atom Count: 12.
Uses of Phenidone: This product is used as a photographic developer. Unlike some other developers, it has low toxicity and does not cause dermatitis upon skin contact. It also can used in organic synthesis. For example: It can react with 1-vinyl-pyrrolidin-2-one to get 1-(2-oxopyrrolidin-1-yl)-1-(5-oxo-2-phenylpyrazolidin-1-yl)ethane. This reaction needs reagent Me3SiCl by heating. The yield is 96%.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. And it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so people should avoid releasing to the environment. Refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
1. SMILES: O=C2NN(c1ccccc1)CC2;
2. InChI: InChI=1/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12).
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | skin | > 1gm/kg (1000mg/kg) | Kodak Company Reports. Vol. 21MAY1971, | |
guinea pig | LD50 | unreported | 1310mg/kg (1310mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(9), Pg. 87, 1984. |
mouse | LD50 | oral | 360mg/kg (360mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(1), Pg. 49, 1987. | |
mouse | LD50 | unreported | 287mg/kg (287mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(9), Pg. 87, 1984. |
rat | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | Kodak Company Reports. Vol. 21MAY1971, | |
rat | LD50 | oral | 200mg/kg (200mg/kg) | Kodak Company Reports. Vol. 21MAY1971, | |
rat | LD50 | unreported | 309mg/kg (309mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(9), Pg. 87, 1984. |
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