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CAS No.: | 83609-87-4 |
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Name: | 4-HYDROXY-7-METHYL-3-PHENYL-1,2-DIHYDROQUINOLIN-2-ONE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C16H13NO2 |
Molecular Weight: | 251.285 |
Synonyms: | 4-Hydroxy-7-methyl-3-phenylquinolin-2(1H)-one; |
Density: | 1.285 g/cm3 |
Melting Point: | >300 °C |
Boiling Point: | 430.7 °C at 760 mmHg |
Flash Point: | 214.3 °C |
Hazard Symbols: | Xi |
PSA: | 53.09000 |
LogP: | 3.20910 |
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The 2(1H)-Quinolinone,4-hydroxy-7-methyl-3-phenyl-, with the CAS registry number 83609-87-4, is also known as 4-Hydroxy-7-methyl-3-phenylquinolin-2(1H)-one. This chemical's molecular formula is C16H13NO2 and molecular weight is 251.28. What's more, its systematic is called 2-Hydroxy-7-methyl-3-phenylquinolin-4(1H)-one. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2(1H)-Quinolinone,4-hydroxy-7-methyl-3-phenyl- are: (1) ACD/LogP: 4.17; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.62; (4) ACD/LogD (pH 7.4): 1.89; (5) ACD/BCF (pH 5.5): 245.32; (6) ACD/BCF (pH 7.4): 4.55; (7) ACD/KOC (pH 5.5): 1245.93; (8) ACD/KOC (pH 7.4): 23.09; (9) #H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 29.54 Å2; (13) Index of Refraction: 1.662; (14) Molar Refractivity: 72.36 cm3; (15)Molar Volume: 195.5 cm3; (16) Surface Tension: 56.1 dyne/cm; (17) Density: 1.285 g/cm3; (18) Flash Point: 214.3 °C; (19) Enthalpy of Vaporization: 72.33 kJ/mol; (20) Boiling Point: 430.7 °C at 760 mmHg; (21) Vapour Pressure: 3.49E-08 mmHg at 25 °C; (22) Melting Point: >300 °C.
Preparation of 2(1H)-Quinolinone,4-hydroxy-7-methyl-3-phenyl-: this chemical can be prepared by Phenylmalonic acid diethyl ester with 3-Methyl-aniline;
This reaction will occur at temperature of 250 °C for 3 hours. The yield is 78 %.
Uses of 2(1H)-Quinolinone,4-hydroxy-7-methyl-3-phenyl-: it is used to produce other chemicals. For example, it is used to produce 3-Chloro-7-methyl-3-phenyl-1H-quinoline-2,4-dione;
This reaction needs reagent Sulfuryl chloride and solvent Dioxane at temperature of 50 °C. The yield is 89 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C\2c1c(cc(cc1)C)NC(/O)=C/2c3ccccc3
(2) InChI: InChI=1/C16H13NO2/c1-10-7-8-12-13(9-10)17-16(19)14(15(12)18)11-5-3-2-4-6-11/h2-9H,1H3,(H2,17,18,19)
(3) InChIKey: WEKPPTVMVCXCNH-UHFFFAOYAP