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1-Phenyl-2-pyrrolidinone

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Name

1-Phenyl-2-pyrrolidinone

EINECS 225-069-6
CAS No. 4641-57-0 Density 1.147 g/cm3
PSA 20.31000 LogP 1.87840
Solubility Soluble in chloroform and ethyl Acetate. Insoluble in water. Melting Point 67-69 °C
Formula C10H11NO Boiling Point 355.5 °C at 760 mmHg
Molecular Weight 161.203 Flash Point 174.7 °C
Transport Information N/A Appearance White solid
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4641-57-0 (1-Phenyl-2-pyrrolidinone) Hazard Symbols IrritantXi
Synonyms

1-Phenyl-2-pyrrolidinone;1-Phenyl-2-pyrrolidone;N-Phenyl-2-pyrrolidinone;N-Phenyl-2-pyrrolidone;N-Phenylbutyrolactam;NSC 25325;

Article Data 147

1-Phenyl-2-pyrrolidinone Specification

The IUPAC name of 2-Pyrrolidinone,1-phenyl- is 1-phenylpyrrolidin-2-one. With the CAS registry number 4641-57-0, it is also named as N-Phenyl-2-pyrrolidinone. The product's categories are Building Blocks; Heterocyclic Building Blocks; Pyrrolidines. Besides, it is white solid, which should be stored in sealed, dark, ventilated and dry place at room temperature. In addition, its molecular formula is C10H11NO and molecular weight is 161.20.

The other characteristics of this product can be summarized as: (1)EINECS: 225-069-6; (2)ACD/LogP: 1.39; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.39; (5)ACD/LogD (pH 7.4): 1.39; (6)ACD/BCF (pH 5.5): 6.73; (7)ACD/BCF (pH 7.4): 6.73; (8)ACD/KOC (pH 5.5): 136.24; (9)ACD/KOC (pH 7.4): 136.24; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 1; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 46.58 cm3; (15)Molar Volume: 140.4 cm3; (16)Surface Tension: 46 dyne/cm; (17)Density: 1.147 g/cm3; (18)Melting point: 67-69 °C; (19)Flash Point: 174.7 °C; (20)Enthalpy of Vaporization: 60.07 kJ/mol; (21)Boiling Point: 355.5 °C at 760 mmHg; (22)Vapour Pressure: 3.11E-05 mmHg at 25 °C.

Preparation of 2-Pyrrolidinone,1-phenyl-: this chemical can be prepared by Dihydro-furan-2-one and Aniline.



This reaction needs conc. HCl at temperature of 150 °C. The reaction time is 2.5 hours. The yield is 83 %.

Uses of 2-Pyrrolidinone,1-phenyl-: it can be used to produced 1-Phenyl-pyrrolidine.



This reaction needs 9-Borabicyclo<3.3.1>nonane and Tetrahydrofuran at temperature of 65 °C for 1 hour. The yield is 99 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C2N(c1ccccc1)CCC2
(2)InChI: InChI=1/C10H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
(3)InChIKey: JMVIVASFFKKFQK-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
(5)Std. InChIKey: JMVIVASFFKKFQK-UHFFFAOYSA-N

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