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Name	1-Phenyl-4-methyl-3-pyrazolidone	EINECS	220-180-6
CAS No.	2654-57-1	Density	1.126 g/cm³
PSA	32.34000	LogP	1.56770
Solubility	754.801mg/L at 30℃	Melting Point	133-136 °C
Formula	C₁₀H₁₂N₂O	Boiling Point	306.6 °C at 760 mmHg
Molecular Weight	176.218	Flash Point	139.2 °C
Transport Information	UN 2811	Appearance	Slightly yellow to beige fine crystalline powder
Safety	24/25	Risk Codes	22-43-51/53
Molecular Structure		Hazard Symbols	Xn, N
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;	Article Data	8

1-Phenyl-4-methyl-3-pyrazolidone Synthetic route

: 79-39-0
Methacrylamide

: 100-63-0
phenylhydrazine

: 2654-57-1
4-methyl-1-phenyl-1H-pyrazolidin-3-one

Conditions

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

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

C 4-methyl-1-phenyl-Δ2-pyrazolidin-5-one: 4-methyl-1-phenyl-Δ2-pyrazolidin-5-one

D 4-methyl-1-phenyl-Δ4-pyrazolidin-3-one: 4-methyl-1-phenyl-Δ4-pyrazolidin-3-one

...Expand

: C11H12N2O2

: 2654-57-1
4-methyl-1-phenyl-1H-pyrazolidin-3-one

Conditions

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

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

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

: 1-[2-(cyclopentylamino)phenyl]-4-methyl-3-pyrazolidinone

Conditions

Conditions	Yield
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate; Trimethylacetic acid In toluene at 20℃;	96%

: 2654-57-1
4-methyl-1-phenyl-1H-pyrazolidin-3-one

: 501-65-5
diphenyl acetylene

: 3-(2,3-diphenyl-1H-indol-1-yl)-2-methylpropanamide

Conditions

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

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

: 2-methyl-9-(2-oxopentyl)-9-phenyl-2,3-dihydro-1H,9H-pyrazolo[1,2-a]indazol-1-one

Conditions

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%

1-Phenyl-4-methyl-3-pyrazolidone Chemical Properties

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

1-Phenyl-4-methyl-3-pyrazolidone Safety Profile

Hazard Codes: Harmful Xn, Dangerous 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

1-Phenyl-4-methyl-3-pyrazolidone 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.

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