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| 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 |
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| Conditions | Yield |
|---|---|
| With sodium ethanolate |
- 80-62-6
methacrylic acid methyl ester
- 100-63-0
phenylhydrazine
- 2654-57-1
4-methyl-1-phenyl-1H-pyrazolidin-3-one
| Conditions | Yield |
|---|---|
| With acetic acid at 150℃; | |
| With sodium ethanolate |
- 80-62-6
methacrylic acid methyl ester
- 100-63-0
phenylhydrazine
A
- 2654-57-1
4-methyl-1-phenyl-1H-pyrazolidin-3-one
B
- 14776-41-1
4-methyl-2-phenyl-pyrazolidin-3-one
- 2654-57-1
4-methyl-1-phenyl-1H-pyrazolidin-3-one
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate; sodium carbonate In acetone | 35 mg |
- 888501-00-6
2-allyl-4-methyl-1-phenyl-pyrazolidin-3-one
- 2654-57-1
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 |
- 888501-01-7
C13H16N2O
- 2654-57-1
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 |
- 2654-57-1
4-methyl-1-phenyl-1H-pyrazolidin-3-one
- 80335-74-6
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% |
- 2654-57-1
4-methyl-1-phenyl-1H-pyrazolidin-3-one
- 15763-55-0
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 |
- 2654-57-1
4-methyl-1-phenyl-1H-pyrazolidin-3-one
- 308805-77-8
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% |
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Chemistry
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
Safety Profile
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
Specification
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.