The 1-Benzyl-2-pyrrolidinone, with the CAS registry number 5291-77-0, is also known as N-Benzyl-2-pyrrolidone. It belongs to the product categories of Heterocyclic Building Blocks; Pyrrolidines. Its EINECS number is 226-131-5. This chemical's molecular formula is C₁₁H₁₃NO and molecular weight is 175.23. What's more, its systematic name is Methyl 2,6-difluorobenzoate. Its classification codes are: (1)Antineoplastic agents; (2)Drug / Therapeutic Agent; (3)Immunologic Factors; (4)Interferon inducers; (5)Mutation data; (6)Reproductive Effect. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.

Physical properties of 1-Benzyl-2-pyrrolidinone are: (1)ACD/LogP: 0.745; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.17; (6)ACD/BCF (pH 7.4): 2.17; (7)ACD/KOC (pH 5.5): 60.58; (8)ACD/KOC (pH 7.4): 60.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 51.31 cm³; (15)Molar Volume: 154.578 cm³; (16)Polarizability: 20.341×10^-24cm³; (17)Surface Tension: 47.6 dyne/cm; (18)Density: 1.134 g/cm³; (19)Flash Point: 141.343 °C; (20)Enthalpy of Vaporization: 58.686 kJ/mol; (21)Boiling Point: 343.041 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by pyrrolidin-2-one and chloromethyl-benzene at the ambient temperature. This reaction will need solvent 1,2-dimethoxy-ethane with the reaction time of 48 hours. This reaction will also need catalyst KF-alumina. The yield is about 81%.

Uses of 1-Benzyl-2-pyrrolidinone: it can be used to produce 1-benzyl-pyrrolidine at the ambient temperature. It will need reagents TiCl₄, NaBH₄ and solvent 1,2-dimethoxy-ethane with the reaction time of 14 hours. The yield is about 93%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(Cc1ccccc1)CCC2
(2)Std. InChI: InChI=1S/C11H13NO/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
(3)Std. InChIKey: LVUQCTGSDJLWCE-UHFFFAOYSA-N