Name: 1-(4-METHYLPHENYL)-2-PYRROLIDINONE
SKU: 3063-79-4

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Basic Information

Molecular Structure:
CAS No.:	3063-79-4
Name:	1-(4-METHYLPHENYL)-2-PYRROLIDINONE
Article Data:	35

Formula:	C₁₁H₁₃NO
Molecular Weight:	175.23
Synonyms:	N-(4-Methylphenyl)pyrrolidin-2-one;2-Pyrrolidinone,1-p-tolyl- (6CI,7CI,8CI);
Density:	1.117 g/cm³
Melting Point:	86-88 °C
Boiling Point:	386.6 °C at 760 mmHg
Flash Point:	191 °C
Appearance:	Beige crystalline powder
Safety:	24/25
PSA:	20.31000
LogP:	2.18680

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Specification

The 2-Pyrrolidinone,1-(4-methylphenyl)- is an organic compound with the formula C₁₁H₁₃NO. The IUPAC name of this chemical is 1-(4-Methylphenyl)pyrrolidin-2-one. With the CAS registry number 3063-79-4, it is also named as 1-(4-Methylphenyl)-2-pyrrolidinone. Besides, it should be stored at in a cool, sealed, dry place. It is beige crystalline powder.

The physical properties of 2-Pyrrolidinone,1-(4-methylphenyl)- are: (1)ACD/LogP: 1.85; (2)ACD/LogD (pH 5.5): 1.85; (3)ACD/LogD (pH 7.4): 1.85; (4)ACD/BCF (pH 5.5): 15.05; (5)ACD/BCF (pH 7.4): 15.05; (6)ACD/KOC (pH 5.5): 242.42; (7)ACD/KOC (pH 7.4): 242.43; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 20.31 Å²; (11)Index of Refraction: 1.569; (12)Molar Refractivity: 51.41 cm³; (13)Molar Volume: 156.7 cm³; (14)Polarizability: 20.38×10^-24 cm³; (15)Surface Tension: 44.2 dyne/cm; (16)Density: 1.117 g/cm³; (17)Flash Point: 191 °C; (18)Enthalpy of Vaporization: 63.55 kJ/mol; (19)Boiling Point: 386.6 °C at 760 mmHg; (20)Vapour Pressure: 3.5E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by Pyrrolidin-2-one and Di-p-tolyl-jodonium-borfluorid. This reaction is a kind of Arylation.This reaction will need reagent K₂CO₃, catalyst CuI and solvent toluene. The reaction time is 6 hours with reaction temperature of 50 °C. The yield is about 68%.

2-Pyrrolidinone,1-(4-methylphenyl)- can be obtained by Pyrrolidin-2-one and Di-p-tolyl-jodonium-borfluorid

Uses of 2-Pyrrolidinone,1-(4-methylphenyl)-: it can be used to produce 1-p-Tolyl-pyrrolidine-2-thione. It will need reagent P₂S₅ and solvent benzene. The yield is about 73%.

2-Pyrrolidinone,1-(4-methylphenyl)- can be used to produce 1-p-Tolyl-pyrrolidine-2-thione

When you are using this chemical, please be cautious about it as the following:
When you are using it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(c1ccc(cc1)C)CCC2
(2)InChI: InChI=1/C11H13NO/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3
(3)InChIKey: ORPHOKOVVUFNKE-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H13NO/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3
(5)Std. InChIKey: ORPHOKOVVUFNKE-UHFFFAOYSA-N