4-(hydroxymethyl)pyrrolidin-2-one

The 2-Pyrrolidinone, 4-(hydroxymethyl)-, with the CAS registry number 64320-89-4, is also known as 4-(Hydroxymethyl)-2-pyrrolidinone. It belongs to the product categories of Amines; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₅H₉NO₂ and molecular weight is 115.13. What's more, both its IUPAC name and systematic name are the same which is called 4-(Hydroxymethyl)pyrrolidin-2-one. It can be used as intermediate in the preparation of aminopiperidines and related compounds as MCH receptor modulators useful in the treatment of metabolic, feeding and sexual disorders in humans.

Physical properties about 2-Pyrrolidinone, 4-(hydroxymethyl)- are: (1)ACD/LogP: -2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.37; (4)ACD/LogD (pH 7.4): -2.37; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.22; (8)ACD/KOC (pH 7.4): 1.22; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12) Polar Surface Area: 49.33 Å²; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 28.154 cm³; (15)Molar Volume: 99.818 cm³; (16)Polarizability: 11.161×10^-24cm³; (17)Surface Tension: 38.734 dyne/cm; (18)Density: 1.153 g/cm³; (19)Flash Point: 163.027 °C; (20)Enthalpy of Vaporization: 68.339 kJ/mol; (21)Boiling Point: 345.953 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 2-Pyrrolidinone, 4-(hydroxymethyl)-: this chemical can be prepared by 1-benzhydryl-4-hydroxymethyl-pyrrolidin-2-one. This reaction needs reagent H₂, catalyst 20 percent Pd(OH)₂ on C and solvent methanol at pressure of 2585.7 Pa. The reaction time is 18 hours. The yield is 59 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CC(CO)CN1
(2) InChI: InChI=1S/C5H9NO2/c7-3-4-1-5(8)6-2-4/h4,7H,1-3H2,(H,6,8)
(3) InChIKey: KTOFYLXSANIPND-UHFFFAOYSA-N