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| CAS No.: | 51135-38-7 |
|---|---|
| Name: | 7-BENZOYL-1,3-DIHYDRO-INDOL-2-ONE |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C15H11NO2 |
| Molecular Weight: | 237.258 |
| Synonyms: | 7-Benzoyl-2-indolinone;7-Benzoyloxindole;7-Benzoylindolin-2-one; |
| Density: | 1.254 g/cm3 |
| Melting Point: | 154℃ |
| Boiling Point: | 501.7 °C at 760 mmHg |
| Flash Point: | 214.3 °C |
| PSA: | 46.17000 |
| LogP: | 2.55020 |
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Specification
The CAS register number of 2H-Indol-2-one,7-benzoyl-1,3-dihydro- is 51135-38-7. It also can be called as 7-Benzoyloxindole and the IUPAC name about this chemical is 7-benzoyl-1,3-dihydroindol-2-one. The molecular formula about this chemical is C15H11NO2 and the molecular weight is 237.25. It belongs to the following product category which includes Nitrogen cyclic compounds.
Physical properties about 2H-Indol-2-one,7-benzoyl-1,3-dihydro- are: (1)ACD/LogP: 3.23; (2)ACD/LogD (pH 5.5): 3.23; (3)ACD/LogD (pH 7.4): 3.23; (4)ACD/BCF (pH 5.5): 168.31; (5)ACD/BCF (pH 7.4): 168.31; (6)ACD/KOC (pH 5.5): 1364.75; (7)ACD/KOC (pH 7.4): 1364.75; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 37.38 Å2; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 67.08 cm3; (14)Molar Volume: 189.1 cm3; (15)Polarizability: 26.59x10-24cm3; (16)Surface Tension: 50 dyne/cm; (17)Density: 1.254 g/cm3; (18)Flash Point: 214.3 °C; (19)Enthalpy of Vaporization: 77.06 kJ/mol; (20)Boiling Point: 501.7 °C at 760 mmHg; (21)Vapour Pressure: 3.39E-10 mmHg at 25 °C.
Preparation: this chemical can be prepared by 7-benzoyl-3-methylsulfanyl-1,3-dihydro-indol-2-one. This reaction will need reagent of Raney nickel and solvent of tetrahydrofuran. The reaction time is 10 minutes. The yield is about 94%.
Uses of 2H-Indol-2-one,7-benzoyl-1,3-dihydro-: it can be used to produce 2-amino-3-benzoylbenzeneacetic acid, sodium salt. This reaction will need reagent of 3N aq. NaOH and it needs heating. The reaction time is 18 hours. The yield is about 80%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cccc2c1NC(=O)C2)c3ccccc3
(2)InChI: InChI=1/C15H11NO2/c17-13-9-11-7-4-8-12(14(11)16-13)15(18)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)
(3)InChIKey: APGQYYFHBPQPTL-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C15H11NO2/c17-13-9-11-7-4-8-12(14(11)16-13)15(18)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)
(5)Std. InChIKey: APGQYYFHBPQPTL-UHFFFAOYSA-N