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5-Hydroxy-1,3-dimethyl-2-indolinone

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Name

5-Hydroxy-1,3-dimethyl-2-indolinone

EINECS N/A
CAS No. 1010-68-0 Density 1.226 g/cm3
PSA 40.54000 LogP 1.53710
Solubility N/A Melting Point 195-197 °C
Formula C10H11NO2 Boiling Point 410.1 °C at 760 mmHg
Molecular Weight 177.203 Flash Point 201.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1010-68-0 (1,3-Dihydro-5-hydroxy-1,3-dimethyl-2H-indol-2-one) Hazard Symbols N/A
Synonyms

1,3-Dihydro-5-hydroxy-1,3-dimethyl-2H-indol-2-one;5-Hydroxy-1,3-dimethyl-2-indolinone;2H-Indol-2-one, 1,3-dihydro-5-hydroxy-1,3-diMethyl-;4-Hydroxy-3,3-diMethylindolin-2-one

Article Data 9

5-Hydroxy-1,3-dimethyl-2-indolinone Specification

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

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