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4641-57-0

4641-57-0 Structure

4641-57-0 Structure
IdentificationMore
[Name]

1-Phenyl-2-pyrrolidinone
[CAS]

4641-57-0
[Synonyms]

1-PHENYL-2-PYRROLIDINONE
1-PHENYL-2-PYRROLIDONE
1-PHENYLPYRROLIDIN-2-ONE
N-PHENYL-2-PYRROLIDINONE
N-PHENYL PYRROLIDONE
VITAS-BB TBB000660
2-Pyrrolidinone,1-phenyl-
N-Phenyl-2-pyrrolidone
N-Phenylbutyrolactam
N-Phenylbutyrolactam~N-Phenyl-2-pyrrolidone
Phenylpyrrolidone
N-phenylpyrrolidinone
Phenylpyrrolidone>99%
N-Phenylbutyrolactame
N-Phenyl-2-pyrrolidinon
1-PHENYL-2-PYRROLIDONE 99+%
[EINECS(EC#)]

225-069-6
[Molecular Formula]

C10H11NO
[MDL Number]

MFCD00003192
[Molecular Weight]

161.2
[MOL File]

4641-57-0.mol
Questions And AnswerBack Directory
[Synthesis]

Synthetic route of 1-Phenyl-2-pyrrolidinone

In a 10 mL Shrek tube, N-phenylcyclohexylamine (0.5 mmol, 81 mg), acetonitrile (5 mL), anhydrous copper acetate (1 mmol, 181 mg), potassium iodide (1 mmol, 166 mg), and potassium persulfate complex salt (Oxone, 615 mg, 1 mmol) were added sequentially. After evacuation and oxygen purging (1 atm), the tube was placed in an 80 °C oil bath and stirred for 12 h. Then, 10 mL of saturated brine was added to quench the reaction, and the mixture was extracted with ethyl acetate (10 mL × 3). The organic phases were combined and dried over anhydrous sodium sulfate.

Filter, evaporate to dryness, and separate by silica gel column chromatography (petroleum ether/ethyl acetate = 3/1) to give a white solid product, 1-Phenyl-2-pyrrolidinone (47 mg, 58%).
Chemical PropertiesBack Directory
[Melting point ]

67-69 °C (lit.)
[Boiling point ]

123 °C/0.2 mmHg (lit.)
[density ]

1.0840 (rough estimate)
[refractive index ]

1.5200 (estimate)
[Fp ]

123°C/0.2mm
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Ethyl Acetate, Methanol (Slightly)
[form ]

Solid
[pka]

0.54±0.20(Predicted)
[color ]

Light Beige
[Water Solubility ]

Soluble in chloroform and ethyl Acetate. Insoluble in water.
[BRN ]

130685
[InChI]

1S/C10H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
[InChIKey]

JMVIVASFFKKFQK-UHFFFAOYSA-N
[SMILES]

O=C1CCCN1c2ccccc2
[CAS DataBase Reference]

4641-57-0(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Pyrrolidinone, 1-phenyl-(4641-57-0)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29337900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Light Beige Solid
[Uses]

A novel derivative of 1-phenyl-2-pyrrolidinone, blebbistatin, inhibits non-muscle myocin II activity with high specificity.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 77, p. 4079, 1955 DOI: 10.1021/ja01620a034
Synthesis, p. 856, 1985
[General Description]

A novel derivative of 1-phenyl-2-pyrrolidinone, blebbistatin, inhibits non-muscle myocin II activity with high specificity.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Phenyl-2-pyrrolidinone(4641-57-0)1HNMR
1-Phenyl-2-pyrrolidinone(4641-57-0)13CNMR
1-Phenyl-2-pyrrolidinone(4641-57-0)IR1
1-Phenyl-2-pyrrolidinone(4641-57-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Phenyl-2-pyrrolidinone, 99%(4641-57-0)
[Sigma Aldrich]

4641-57-0(sigmaaldrich)
[TCI AMERICA]

1-Phenyl-2-pyrrolidone,>99.0%(GC)(4641-57-0)
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