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| CAS No.: | 23210-22-2 |
|---|---|
| Name: | 3-METHYL-1-PHENYLINDOLIN-2-ONE |
| Molecular Structure: | |
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| Formula: | C15H13NO |
| Molecular Weight: | 223.274 |
| Synonyms: | 2-Indolinone,3-methyl-1-phenyl- (8CI);1,3-Dihydro-3-methyl-1-phenyl-2H-indol-2-one;3-Methyl-1-phenyl-2-indolinone; |
| Density: | 1.173 g/cm3 |
| Melting Point: | 78-81 °C(lit.) |
| Boiling Point: | 417.4 °C at 760 mmHg |
| Flash Point: | 202.2 °C |
| PSA: | 20.31000 |
| LogP: | 3.53340 |
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Specification
The CAS register number of 2H-Indol-2-one,1,3-dihydro-3-methyl-1-phenyl- is 23210-22-2. It also can be called as 1,3-Dihydro-3-methyl-1-phenyl-2H-indol-2-one and the systematic name about this chemical is 3-methyl-1-phenyl-1,3-dihydro-2H-indol-2-one. The molecular formula about this chemical is C15H13NO and the molecular weight is 223.27. It belongs to the following product categories which include Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Indoles and so on.
Physical properties about 2H-Indol-2-one,1,3-dihydro-3-methyl-1-phenyl- are: (1)ACD/LogP: 2.29; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 20.31 Å2; (5)Index of Refraction: 1.618; (6)Molar Refractivity: 66.66 cm3; (7)Molar Volume: 190.2 cm3; (8)Polarizability: 26.42x10-24cm3; (9)Surface Tension: 46.1 dyne/cm; (10)Density: 1.173 g/cm3; (11)Flash Point: 202.2 °C; (12)Enthalpy of Vaporization: 67.08 kJ/mol; (13)Boiling Point: 417.4 °C at 760 mmHg; (14)Vapour Pressure: 3.54E-07 mmHg at 25 °C.
Preparation: this chemical can be prepared by N.N-Diphenyl-a-chlorpropionamid. This reaction will need reagent of AlCl3 and solvent of methylcyclohexane. The reaction time is 2 hours and it needs heating. The yield is about 61%.
Uses of 2H-Indol-2-one,1,3-dihydro-3-methyl-1-phenyl-: it can be used to produce 3-hydroxy-3-methyl-1-phenyl-1,3-dihydro-indol-2-one. This reaction will need reagents of O2, NaOH and solvent of methanol. The reaction time is 6 hours with ambient temperature. The yield is about 99%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(c1ccccc1C2C)c3ccccc3
(2)InChI: InChI=1/C15H13NO/c1-11-13-9-5-6-10-14(13)16(15(11)17)12-7-3-2-4-8-12/h2-11H,1H3
(3)InChIKey: DJKASMOURATDIE-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C15H13NO/c1-11-13-9-5-6-10-14(13)16(15(11)17)12-7-3-2-4-8-12/h2-11H,1H3
(5)Std. InChIKey: DJKASMOURATDIE-UHFFFAOYSA-N