5-METHYL-2-PYRROLIDONE

The 2-Pyrrolidinone,5-methyl- is an organic compound with the formula C₅H₉NO. The IUPAC name of this chemical is 5-methylpyrrolidin-2-one. With the CAS registry number 108-27-0, it is also named as 5-Methyl-2-pyrrolidinone. The product's categories are Building Blocks; Heterocyclic Building Blocks; Pyrrolidines.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.96; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.15; (8)ACD/KOC (pH 7.4): 7.15; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.439; (13)Molar Refractivity: 26.63 cm³; (14)Molar Volume: 101.2 cm³; (15)Polarizability: 10.55×10^-24 cm³; (16)Surface Tension: 27.5 dyne/cm; (17)Enthalpy of Vaporization: 47.75 kJ/mol; (18)Vapour Pressure: 0.0377 mmHg at 25°C; (19)Tautomer: Count 3; (20)Exact Mass: 99.068414; (21)MonoIsotopic Mass: 99.068414; (22)Topological Polar Surface Area: 29.1; (23)Heavy Atom Count: 7; (24)Complexity: 90.1.

Preparation of 2-Pyrrolidinone,5-methyl-: It can be obtained by 4-hydroxyimino-valeric acid methyl ester. This reaction needs reagent H₂, catalytic agent Raney Ni and solvent ethanol at temperature of 150 °C and pressure of 114000.06. The reaction time is 7 hours. The yield is 70%.

Uses of 2-Pyrrolidinone,5-methyl-: It can react with 2-amino-benzoic acid to get 1-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one. This reaction needs reagent POCl₃ at temperature of 100 °C. The reaction time is 1 hours. The yield is 55%.

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. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C1NC(C)CC1
2. InChI:InChI=1/C5H9NO/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)
3. InChIKey:YVIVRJLWYJGJTJ-UHFFFAOYAC