Products Categories
CAS No.: | 2654-57-1 |
---|---|
Name: | 1-Phenyl-4-methyl-3-pyrazolidone |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C10H12N2O |
Molecular Weight: | 176.218 |
Synonyms: | 1-Phenyl-4-methyl-3-oxopyrazolidine;1-Phenyl-4-methyl-3-pyrazolidinone;4-Methyl-1-phenyl-3-pyrazolidinone;4-Methyl-1-phenyl-3-pyrazolidone;4-Methyl-1-phenyl-4,5-dihydro-1H-pyrazol-3-ol;NSC 96628;Phenidone B; |
EINECS: | 220-180-6 |
Density: | 1.126 g/cm3 |
Melting Point: | 133-136 °C |
Boiling Point: | 306.6 °C at 760 mmHg |
Flash Point: | 139.2 °C |
Solubility: | 754.801mg/L at 30℃ |
Appearance: | Slightly yellow to beige fine crystalline powder |
Hazard Symbols: | Xn, N |
Risk Codes: | 22-43-51/53 |
Safety: | 24/25 |
Transport Information: | UN 2811 |
PSA: | 32.34000 |
LogP: | 1.56770 |
Conditions | Yield |
---|---|
With sodium ethanolate |
methacrylic acid methyl ester
phenylhydrazine
4-methyl-1-phenyl-1H-pyrazolidin-3-one
Conditions | Yield |
---|---|
With acetic acid at 150℃; | |
With sodium ethanolate |
methacrylic acid methyl ester
phenylhydrazine
A
4-methyl-1-phenyl-1H-pyrazolidin-3-one
B
4-methyl-2-phenyl-pyrazolidin-3-one
4-methyl-1-phenyl-1H-pyrazolidin-3-one
Conditions | Yield |
---|---|
With sodium hydrogencarbonate; sodium carbonate In acetone | 35 mg |
2-allyl-4-methyl-1-phenyl-pyrazolidin-3-one
4-methyl-1-phenyl-1H-pyrazolidin-3-one
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 87 percent / [(PCy3)2Cl2Ru=CHPh] / toluene / 110 °C 2: NaIO4; aq. RuCl3 / 1,2-dichloro-ethane / 20 °C 3: 35 mg / aq. NaHCO3; Na2CO3 / acetone View Scheme |
C13H16N2O
4-methyl-1-phenyl-1H-pyrazolidin-3-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: NaIO4; aq. RuCl3 / 1,2-dichloro-ethane / 20 °C 2: 35 mg / aq. NaHCO3; Na2CO3 / acetone View Scheme |
4-methyl-1-phenyl-1H-pyrazolidin-3-one
N-cyclopentyl-O-benzoylhydroxylamine
Conditions | Yield |
---|---|
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate; Trimethylacetic acid In toluene at 20℃; | 96% |
Conditions | Yield |
---|---|
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; palladium diacetate; sodium carbonate In 1,2-dichloro-ethane at 100℃; for 2h; Sealed tube; | 95% |
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% |
4-methyl-1-phenyl-1H-pyrazolidin-3-one
4-methyl-1-phenyl-1,2-dihydro-3H-pyrazol-3-one
Conditions | Yield |
---|---|
With sodium anthraquinone-2-sulfonate; palladium diacetate; potassium carbonate In chlorobenzene at 110℃; for 6h; | 93% |
With trifluoro-N-(oxo-λ4-sulfanylidene)methanesulfonamide In dichloromethane at 20℃; Inert atmosphere; | 88% |
With iron(III) chloride |
4-methyl-1-phenyl-1H-pyrazolidin-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; Inert atmosphere; | 91% |
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium acetate In dichloromethane at 60℃; for 8h; | 45% |
What can I do for you?
Get Best Price
IUPAC Name: 4-methyl-1-phenylpyrazolidin-3-one
Empirical Formula: C10H12N2O
Molecular Weight: 176.2151g/mol
EINECS: 220-180-6
Structure of 3-Pyrazolidinone,4-methyl-1-phenyl- (CAS NO.2654-57-1):
Index of Refraction: 1.552
Molar Refractivity: 50.03 cm3
Molar Volume: 156.4 cm3
Polarizability: 19.83×10-24cm3
Surface Tension: 39.4 dyne/cm
Density: 1.126 g/cm3
Flash Point: 139.2 °C
Enthalpy of Vaporization: 57.77 kJ/mol
Boiling Point: 306.6 °C at 760 mmHg
Melting Point: 133-136 °C
storage temp: Dark Room
Vapour Pressure: 0.000333 mmHg at 25°C
Product Categories: Pyrazoles & Triazoles;Pyrazoles & Triazoles
Canonical SMILES: CC1CN(NC1=O)C2=CC=CC=C2
InChI: InChI=1S/C10H12N2O/c1-8-7-12(11-10(8)13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,13)
InChIKey: ZZEYCGJAYIHIAZ-UHFFFAOYSA-N
Hazard Codes: Xn,N
Risk Statements: 22-43-51/53
R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
RIDADR: 2811
HazardClass: 6.1(b)
PackingGroup: III
3-Pyrazolidinone,4-methyl-1-phenyl- , its cas register number is 2654-57-1. It also can be called 1-Phenyl-4-methyl-3-pyrazolidone ; 4-Methyl-1-phenyl-3-pyrazolidinone ; AI3-60150 ; NSC 96628 ; Phenidone B . 3-Pyrazolidinone,4-methyl-1-phenyl- (CAS NO.2654-57-1) toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. And it is harmful if swallowed.