1-Acetyl-5,6-dimethoxyindoline

The CAS registry number of 1-Acetyl-5,6-dimethoxyindoline is 15937-10-7. The systematic name is 1-(5,6-dimethoxyindolin-1-yl)ethanone. In addition, the molecular formula is C₁₂H₁₅NO₃ and the molecular weight is 221.25. What's more, it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.10 ; (2)ACD/LogD (pH 5.5): 2.102; (3)ACD/LogD (pH 7.4): 2.102; (4)ACD/BCF (pH 5.5): 23.323; (5)ACD/BCF (pH 7.4): 23.325; (6)ACD/KOC (pH 5.5): 331.639; (7)ACD/KOC (pH 7.4): 331.667; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 38.77 Å²; (11)Index of Refraction: 1.548; (12)Molar Refractivity: 59.944 cm³; (13)Molar Volume: 188.842 cm³; (14)Polarizability: 23.764 ×10^-24cm³; (15)Surface Tension: 42.202 dyne/cm; (16)Density: 1.172 g/cm³; (17)Flash Point: 227.481 °C; (18)Enthalpy of Vaporization: 71.177 kJ/mol; (19)Boiling Point: 452.528 °C at 760 mmHg.

Preparation of 1-Acetyl-5,6-dimethoxyindoline: it can be prepared by N-(2-bromo-4,5-dimethoxyphenethyl)acetamide. This reaction will need reagents CuI and NaH, and solvent dimethylformamide. The reaction time is 12 hours at reaction temperature of 80 °C. The yield is about 74%.

Uses of 1-Acetyl-5,6-dimethoxyindoline: it can be used to get 1-acetyl-5,6-dimethoxy-indole. This reaction will need reagent manganese dioxide and solvent CH₂Cl₂. The reaction time is 2 days with ambient temperature. The yield is about 64.7%.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)N1CCc2c1cc(c(c2)OC)OC
(2)InChI: InChI=1/C12H15NO3/c1-8(14)13-5-4-9-6-11(15-2)12(16-3)7-10(9)13/h6-7H,4-5H2,1-3H3
(3)InChIKey: GCSZYTDUDYHMGG-UHFFFAOYAQ