2-CHLORO-1-(2-METHYL-1H-INDOL-3-YL)-ETHANONE

The 2-Chloro-1-(2-methyl-1H-indol-3-yl)ethanone is an organic compound with the formula C₁₁H₁₀ClNO. The IUPAC name of this chemical is 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone. With the CAS registry number 38693-08-2, it is also named as 1-ethanone, 2-chloro-1-(2-methyl-1H-indol-3-yl)-.

Physical properties about 2-Chloro-1-(2-methyl-1H-indol-3-yl)ethanone are: (1)ACD/LogP: 2.70; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 22 Å²; (6)Index of Refraction: 1.642; (7)Molar Refractivity: 58.23 cm³; (8)Molar Volume: 161 cm³; (9)Polarizability: 23.08×10^-24cm³; (10)Surface Tension: 51.7 dyne/cm; (11)Density: 1.289 g/cm³; (12)Flash Point: 185.7 °C; (13)Enthalpy of Vaporization: 63.2 kJ/mol; (14)Boiling Point: 383.5 °C at 760 mmHg; (15)Vapour Pressure: 4.38E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-indole and chloroacetyl chloride. This reaction is a kind of Acylation. This reaction will need reagent AlCl₃ and solvent CH₂Cl₂.

Uses of 2-Chloro-1-(2-methyl-1H-indol-3-yl)ethanone: it can be used to produce 1-(2-methyl-1H-indol-3-yl)-2-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethylsulfanyl]-ethanone at temperature of 80 - 90 °C. It will need reagent sodium sulfide nonahydrate and solvent dimethylformamide with reaction time of 3 hours. The yield is about 61%.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)c2c1ccccc1nc2C
(2)InChI: InChI=1/C11H10ClNO/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h2-5,13H,6H2,1H3
(3)InChIKey: GEACTTPEMXZJFB-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H10ClNO/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h2-5,13H,6H2,1H3
(5)Std. InChIKey: GEACTTPEMXZJFB-UHFFFAOYSA-N