1-(3-HYDROXYPROPYL)-2-PYRROLIDONE

The 2-Pyrrolidinone,1-(3-hydroxypropyl)- is an organic compound with the formula C₇H₁₃NO₂. The IUPAC name of this chemical is 1-(3-Hydroxypropyl)pyrrolidin-2-one. With the CAS registry number 62012-15-1, it is also named as N-(3-Hydroxypropyl)-2-pyrrolidone. Besides, its molecular weight is 143.1836.

The physical properties of 2-Pyrrolidinone,1-(3-hydroxypropyl)- are: (1)ACD/LogP: -0.81; (2)ACD/LogD (pH 5.5): -0.81; (3)ACD/LogD (pH 7.4): -0.81; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.65; (7)ACD/KOC (pH 7.4): 8.65; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.5; (13)Molar Refractivity: 37.63 cm³; (14)Molar Volume: 127.8 cm³; (15)Polarizability: 14.92×10^-24 cm³; (16)Surface Tension: 43.9 dyne/cm; (17)Density: 1.119 g/cm³; (18)Flash Point: 152.1 °C; (19)Enthalpy of Vaporization: 66.08 kJ/mol; (20)Boiling Point: 327.9 °C at 760 mmHg; (21)Vapour Pressure: 1.48E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by Dihydro-furan-2-one and 3-Amino-propan-1-ol. The reaction time is 6 hours with reaction temperature of 270 °C. The yield is about 79%.

Uses of 2-Pyrrolidinone,1-(3-hydroxypropyl)-: it can be used to produce 1-(3-Chloropropyl)-2-pyrrolidinone. It will need reagent SOCl₂ and solvent benzene with reaction time of 3 hours. The yield is about 83%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(CCCO)CCC1
(2)InChI: InChI=1/C7H13NO2/c9-6-2-5-8-4-1-3-7(8)10/h9H,1-6H2
(3)InChIKey: CVDGNRZPDAXOQO-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H13NO2/c9-6-2-5-8-4-1-3-7(8)10/h9H,1-6H2
(5)Std. InChIKey: CVDGNRZPDAXOQO-UHFFFAOYSA-N