1-Phenyl-2-pyrrolidinone

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