4-OXO-4-PYRROLIDIN-1-YL-BUTYRIC ACID

The 1-Pyrrolidinebutanoicacid, g-oxo-, with the CAS registry number 69338-35-8, is also known as 4-Oxo-4-pyrrolidinylbutanoic acid. This chemical's molecular formula is C₈H₁₃NO₃ and molecular weight is 171.19. What's more, both its IUPAC name and systematic name are the same which is called 4-Oxo-4-(pyrrolidin-1-yl)butanoic acid. When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin.

Physical properties about this chemical are: (1)ACD/LogP: 1.07; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.53; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.61Ų; (12)Index of Refraction: 1.518; (13)Molar Refractivity: 42.04 cm³; (14)Molar Volume: 138.6 cm³; (15)Surface Tension: 53.2 dyne/cm; (16)Density: 1.234 g/cm³; (17)Flash Point: 184.2 °C; (18)Enthalpy of Vaporization: 69.07 kJ/mol; (19)Boiling Point: 380.9 °C at 760 mmHg; (20)Vapour Pressure: 7.41E-07 mmHg at 25 °C.

Preparation of 1-Pyrrolidinebutanoicacid, g-oxo-: this chemical can be prepared by Pyrrolidine and Succinic acid anhydride.

This reaction needs reagent Diethyl ether and solvent CHCl₃. The reaction time is 1 hour. The yield is 83%.

Uses of 1-Pyrrolidinebutanoicacid, g-oxo-: it is used to produce other chemicals. For example, it is used to produce 4-Oxo-4-pyrrolidino-butyric acid methyl ester.

The reaction occurs with reagent Methanol and other condition of heating for 15 hours. The yield is 96%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N1CCCC1)CCC(=O)O
(2) InChI: InChI=1/C8H13NO3/c10-7(3-4-8(11)12)9-5-1-2-6-9/h1-6H2,(H,11,12)
(3) InChIKey: ADSJBLXBDQWPHY-UHFFFAOYAU