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2-Pyrrolidinone, 4-(hydroxymethyl)-

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Name

2-Pyrrolidinone, 4-(hydroxymethyl)-

EINECS N/A
CAS No. 64320-89-4 Density 1.153 g/cm3
PSA 49.33000 LogP -0.55640
Solubility N/A Melting Point N/A
Formula C5H9NO2 Boiling Point 345.953 °C at 760 mmHg
Molecular Weight 115.132 Flash Point 163.027 °C
Transport Information N/A Appearance N/A
Safety 26-61 Risk Codes 36-51/53
Molecular Structure Molecular Structure of 64320-89-4 (4-(hydroxymethyl)pyrrolidin-2-one) Hazard Symbols Xi,N
Synonyms

4-(Hydroxymethyl)pyrrolidin-2-one;

Article Data 5

2-Pyrrolidinone, 4-(hydroxymethyl)- Specification

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 %.

2-Pyrrolidinone, 4-(hydroxymethyl)- can be prepared by 1-benzhydryl-4-hydroxymethyl-pyrrolidin-2-one.

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

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