5-Hydroxy-1,3-dimethyl-2-indolinone (1010-68-0)

The 5-Hydroxy-1,3-dimethyl-2-indolinone, with the CAS registry number 1010-68-0, is also known as 1,3-Dihydro-5-hydroxy-1,3-dimethyl-2H-indol-2-one and Indole-2-one,2,3-dihydro-5-hydroxy-1,3-dimethyl-. This chemical's molecular formula is C₁₀H₁₁NO₂ and molecular weight is 177.2. What's more, its systematic name is called 5-Hydroxy-1,3-dimethyl-1,3-dihydro-2H-indol-2-one.

Physical properties about this chemical are: (1) ACD/LogP: 1.30; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.3; (4) ACD/LogD (pH 7.4): 1.29; (5) ACD/BCF (pH 5.5): 5.74; (6) ACD/BCF (pH 7.4): 5.62; (7) ACD/KOC (pH 5.5): 121.59; (8) ACD/KOC (pH 7.4): 119.11; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 29.54 Å²; (13) Index of Refraction: 1.59; (14) Molar Refractivity: 48.81 cm³; (15) Molar Volume: 144.4 cm³; (16) Surface Tension: 46.4 dyne/cm; (17) Density: 1.226 g/cm³; (18) Flash Point: 201.8 °C; (19) Enthalpy of Vaporization: 68.81 kJ/mol; (20) Boiling Point: 410.1 °C at 760 mmHg; (21) Vapour Pressure: 2.61E-07 mmHg at 25 °C; (22) Melting Point: 195-197 °C.

Preparation of 5-Hydroxy-1,3-dimethyl-2-indolinone: this chemical is prepared by reaction of 2-Bromo-N-(4-methoxy-phenyl)-N-methyl-propionamide.

This reaction needs reagent AlCl₃ at temperature of 200 °C. The reaction time is 1 hour. The yield is 85 %.

Uses of 5-Hydroxy-1,3-dimethyl-2-indolinone: it is used to produce other chemicals. For example, it is used to produce 5-Methoxy-1,3-dimethyl-indolin-2-one.

The reaction occurs with reagent KOH. The yield is 51 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2N(c1ccc(O)cc1C2C)C
(2) InChI: InChI=1/C10H11NO2/c1-6-8-5-7(12)3-4-9(8)11(2)10(6)13/h3-6,12H,1-2H3
(3) InChIKey: YQPARKFXCYFIBD-UHFFFAOYAQ