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| CAS No.: | 60536-21-2 |
|---|---|
| Name: | 10-benzylacridin-9(10H)-one |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C20H15NO |
| Molecular Weight: | 285.345 |
| Synonyms: | 10-Benzyl-9(10H)-acridinone;N-Benzyl-9-acridone;10-Benzylacridin-9(10H)-one; |
| Density: | 1.23 g/cm3 |
| Boiling Point: | 472 °C at 760 mmHg |
| Flash Point: | 191.7 °C |
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- Total:6 Page 1 of 1 1
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Specification
The 9(10H)-Acridinone,10-(phenylmethyl)-, with the CAS registry number 60536-21-2, is also known as N-Benzyl-9-acridone. This chemical's molecular formula is C20H15NO and molecular weight is 285.34. What's more, its systematic name is 10-Benzylacridin-9(10H)-one.
Physical properties of 9(10H)-Acridinone,10-(phenylmethyl)- are: (1)ACD/LogP: 4.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.46; (4)ACD/LogD (pH 7.4): 4.46; (5)ACD/BCF (pH 5.5): 1452.84; (6)ACD/BCF (pH 7.4): 1452.84; (7)ACD/KOC (pH 5.5): 6384.31; (8)ACD/KOC (pH 7.4): 6384.31; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 86.65 cm3; (15)Molar Volume: 231.9 cm3; (16)Polarizability: 34.35×10-24 cm3; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 191.7 °C; (20)Enthalpy of Vaporization: 73.49 kJ/mol; (21)Boiling Point: 472 °C at 760 mmHg; (22)Vapour Pressure: 4.43E-09 mmHg at 25°C.
Preparation: this chemical can be prepared by 10H-acridin-9-one and chloromethyl-benzene at the temperature of 70-75 °C. This reaction will need reagent 50 percent aq. NaOH and solvent butan-2-one with the reaction time of 1 hour. This reaction will also need catalyst benzyl triethyl ammonium chloride. The yield is about 75.7%.
-Acridinone,10-(phenylmethyl)-.png)
Uses of 9(10H)-Acridinone,10-(phenylmethyl)-: it can be used to produce 9-adamantan-2-ylidene-10-benzyl-9,10-dihydro-acridine by heating. It will need reagents TiCl3, LiAlH4, Et3N and solvent tetrahydrofuran with the reaction time of 40 hours.
-Acridinone,10-(phenylmethyl)-(1).png)
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42
(2)InChI: InChI=1S/C20H15NO/c22-20-16-10-4-6-12-18(16)21(14-15-8-2-1-3-9-15)19-13-7-5-11-17(19)20/h1-13H,14H2
(3)InChIKey: HPZWRMSWPVJWGN-UHFFFAOYSA-N