118060-72-3

The 3H-Pyrrol-3-one,1-ethyl-1,2-dihydro-2-methyl- has the CAS registry number 118060-72-3. It belongs to the product category of Pyrrole. This chemical's molecular formula is C₇H₁₁NO and molecular weight is 125.17. What's more, its systematic name is 1-ethyl-2-methyl-2H-pyrrol-3-one.

Physical properties of 3H-Pyrrol-3-one,1-ethyl-1,2-dihydro-2-methyl- are: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.012; (6)ACD/BCF (pH 7.4): 1.013; (7)ACD/KOC (pH 5.5): 35.097; (8)ACD/KOC (pH 7.4): 35.119; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 35.782 cm³; (15)Molar Volume: 127.133 cm³; (16)Polarizability: 14.185×10^-24cm³; (17)Surface Tension: 30.111 dyne/cm; (18)Density: 0.985 g/cm³; (19)Flash Point: 65.066 °C; (20)Enthalpy of Vaporization: 42.546 kJ/mol; (21)Boiling Point: 189.247 °C at 760 mmHg; (22)Vapour Pressure: 0.575 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-(N-N-diethyl)-aminomethylene-2,2-dimethyl-1,3-dioxane-4,6-dione at the temperature of 600 °C. The yield is about 77%.

Uses of 3H-Pyrrol-3-one,1-ethyl-1,2-dihydro-2-methyl-: it can be used to produce 1-ethyl-3-methoxy-2-methylpyrrole at the ambient temperature. It will need reagent NaH and various solvent(s) with the reaction time of 1 hour. The yield is about 72%.

You can still convert the following datas into molecular structure:
(1)SMILES: CCN1C=CC(=O)C1C
(2)Std. InChI: InChI=1S/C7H11NO/c1-3-8-5-4-7(9)6(8)2/h4-6H,3H2,1-2H3
(3)Std. InChIKey: UUXJSYDOFVVMRM-UHFFFAOYSA-N