1-BOC-3-Pyrrolidinone 98% supplier in China CAS NO.101385-93-7

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1.Introduction of N-Boc-3-pyrrolidinone

The N-Boc-3-pyrrolidinone, with the CAS registry number 101385-93-7, is also known as N-(tert-Butoxycarbonyl)-3-pyrrolidinone. It belongs to the product categories of Amines and Anilines; Carbonyl Compounds; Pharmacetical; Pyrrolidines; Pyrrole & Pyrrolidine & Pyrroline; Benzenes; Chiral Chemicals; Aliphatics; Heterocycles. This chemical's molecular formula is C9H15NO3 and molecular weight is 185.22. What's more, its systematic name is 2-Methyl-2-propanyl 3-oxo-1-pyrrolidinecarboxylate. 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 oxidants.

2.Physical properties of N-Boc-3-pyrrolidinone

(1)ACD/LogP: 0.023; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 24.52; (8)ACD/KOC (pH 7.4): 24.52; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 ?2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 46.959 cm3; (15)Molar Volume: 163.457 cm3; (16)Polarizability: 18.616 10-24cm3; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.133 g/cm3; (19)Flash Point: 117.622 °C; (20)Enthalpy of Vaporization: 50.908 kJ/mol; (21)Boiling Point: 270.877 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.

3.Structure of N-Boc-3-pyrrolidinone

(1)SMILES: CC(C)(C)OC(=O)N1CC(=O)CC1
(2)Std. InChI: InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h4-6H2,1-3H3
(3)Std. InChIKey: JSOMVCDXPUXKIC-UHFFFAOYSA-N

4.Preparation of N-Boc-3-pyrrolidinone

N-Boc-3-pyrrolidinone can be prepared by N-t-butoxycarbonylpyrrolidin-3-ol at the ambient temperature. This reaction will need reagent pyridinium chlorochromate and solvent CH2Cl2 with the reaction time of 8 hours. The yield is about 65%.

5.Uses of N-Boc-3-pyrrolidinone

N-Boc-3-pyrrolidinone can be used to produce N-(tert-butoxycarbonyl)-2,4-bis<(2-furyl)methylidene>pyrrolidine-3-one at the temperature of 60 °C. It will need reagent piperidine, AcOH and solvents ethanol, H2O with the reaction time of 1 hour. The yield is about 30%.

6.Safty information of N-Boc-3-pyrrolidinone

This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. Moreover, it has a risk of serious damage to eyes. 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 clothing, gloves and eye/face protection.