1H-Indole,1-ethyl-2-methyl- (40876-94-6)

The 1-Ethyl-2-methylindole is an organic compound with the formula C₁₁H₁₃N. The IUPAC name of this chemical is 1-ethyl-2-methylindole. With the CAS registry number 40876-94-6, it is also named as 1H-indole, 1-ethyl-2-methyl-. The product's categories are Building Blocks; Heterocyclic Building Blocks; Indoles.

Physical properties about 1-Ethyl-2-methylindole are: (1)ACD/LogP: 3.53; (2)ACD/LogD (pH 5.5): 3.53; (3)ACD/LogD (pH 7.4): 3.53; (4)ACD/BCF (pH 5.5): 284.35; (5)ACD/BCF (pH 7.4): 284.35; (6)ACD/KOC (pH 5.5): 1986.44; (7)ACD/KOC (pH 7.4): 1986.44; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 4.93 Å²; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 51.72 cm³; (13)Molar Volume: 161.5 cm³; (14)Polarizability: 20.5×10^-24cm³; (15)Surface Tension: 33.4 dyne/cm; (16)Density: 0.98 g/cm³; (17)Flash Point: 119.8 °C; (18)Enthalpy of Vaporization: 49.23 kJ/mol; (19)Boiling Point: 274.5 °C at 760 mmHg; (20)Vapour Pressure: 0.009 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-indole and bromoethane. This reaction will need reagent potassium hydroxide, PEG-400-Et₂ and solvent H₂O, benzene. The reaction time is 2 hours with reaction temperature of 30 °C. The yield is about 95%.

Uses of 1-Ethyl-2-methylindole: it can be used to produce 2-(1'-Ethyl-2'-methylindol-3'-yl)-nitroethen. It will need reagent CF₃COOH and solvent CH₂Cl₂ with reaction time of 1 hour. The yield is about 63%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc2c1cc(n2CC)C
(2)InChI: InChI=1/C11H13N/c1-3-12-9(2)8-10-6-4-5-7-11(10)12/h4-8H,3H2,1-2H3
(3)InChIKey: XMOWAIVXKJWQBJ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C11H13N/c1-3-12-9(2)8-10-6-4-5-7-11(10)12/h4-8H,3H2,1-2H3
(5)Std. InChIKey: XMOWAIVXKJWQBJ-UHFFFAOYSA-N