2,2,5,5-TETRAMETHYL-3-PYRROLINE-3-CARBOXAMIDE

The 2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide, with CAS registry number 19805-75-5, belongs to the following product categories: (1)Miscellaneous Reagents; (2)Building Blocks; (3)Heterocyclic Building Blocks; (4)Pyrrolines. It has the systematic name of 2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamide. This chemical is a kind of off-white crystalline solid. The main use of this chemical is for a useful synthetic intermediate. What's more, its EINECS is 243-331-8.

Physical properties of 2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.2; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 7.64; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 48.14 cm³; (15)Molar Volume: 171.2 cm³; (16)Polarizability: 19.08×10^-24cm³; (17)Surface Tension: 29.8 dyne/cm; (18)Enthalpy of Vaporization: 55.43 kJ/mol; (19)Vapour Pressure: 0.000502 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,5-Dibrom-4-oxo-2,2,6,6-tetramethylpiperidin-1-yloxy. This reaction will need reagent aq. ammonia. The reaction time is 5 hour(s). The yield is about 91%.

Uses of 2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide: it can be used to produce 3-carbamoyl-2,2,5,5-tetramethyl-2,5-dihydro-pyrrol-1-yloxyl. This reaction will need reagent dimethyldioxirane and solvent acetone. The reaction temperature is 0 ℃. The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
The 2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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=C(/C1=C/C(NC1(C)C)(C)C)N
(2)InChI: InChI=1/C9H16N2O/c1-8(2)5-6(7(10)12)9(3,4)11-8/h5,11H,1-4H3,(H2,10,12)
(3)InChIKey: ACFYUJLIWIDSFM-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H16N2O/c1-8(2)5-6(7(10)12)9(3,4)11-8/h5,11H,1-4H3,(H2,10,12)
(5)Std. InChIKey: ACFYUJLIWIDSFM-UHFFFAOYSA-N