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| CAS No.: | 99878-76-9 |
|---|---|
| Name: | 4-Hydroxy-7,8-Dimethoxyquinoline |
| Molecular Structure: | |
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| Formula: | C11H11NO3 |
| Molecular Weight: | 205.213 |
| Synonyms: | 4-HYDROXY-7,8-DIMETHOXYQUINOLINE |
| Density: | 1.206 g/cm3 |
| Boiling Point: | 351.7 °C at 760 mmHg |
| Flash Point: | 166.5 °C |
| PSA: | 51.58000 |
| LogP: | 1.95760 |
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Specification
The 4-Hydroxy-7,8-Dimethoxyquinoline is an organic compound with the formula C11H11NO3. The systematic name of this chemical is 7,8-dimethoxyquinolin-4(1H)-one. With the CAS registry number 99878-76-9, it is also named as 4-quinolinol, 7,8-dimethoxy-. The product's category is Quinoline.
Physical properties about 4-Hydroxy-7,8-Dimethoxyquinoline are: (1)ACD/LogP: 2.56; (2)ACD/LogD (pH 5.5): 2.56; (3)ACD/LogD (pH 7.4): 2.56; (4)ACD/BCF (pH 5.5): 52.01; (5)ACD/BCF (pH 7.4): 52.02; (6)ACD/KOC (pH 5.5): 588.8; (7)ACD/KOC (pH 7.4): 588.94; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 38.77 Å2; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 54.86 cm3; (14)Molar Volume: 170 cm3; (15)Polarizability: 21.75×10-24cm3; (16)Surface Tension: 41.1 dyne/cm; (17)Density: 1.206 g/cm3; (18)Flash Point: 166.5 °C; (19)Enthalpy of Vaporization: 59.65 kJ/mol; (20)Boiling Point: 351.7 °C at 760 mmHg; (21)Vapour Pressure: 4.03E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-(2,3-dimethoxy-phenylamino)-acrylic acid methyl ester. This reaction will need solvent diphenyl ether. The reaction time is 25 min by heating. The yield is about 91%.
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Uses of 4-Hydroxy-7,8-Dimethoxyquinoline: it can be used to produce 4-chloro-7,8-dimethoxyquinoline at temperature of 22 °C. It will need reagent POCl3 with reaction time of 24 hours. The yield is about 86%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1c(c(OC)c(OC)cc1)N/C=C/2
(2)InChI: InChI=1/C11H11NO3/c1-14-9-4-3-7-8(13)5-6-12-10(7)11(9)15-2/h3-6H,1-2H3,(H,12,13)
(3)InChIKey: QKKBTCLRDAEMQB-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C11H11NO3/c1-14-9-4-3-7-8(13)5-6-12-10(7)11(9)15-2/h3-6H,1-2H3,(H,12,13)
(5)Std. InChIKey: QKKBTCLRDAEMQB-UHFFFAOYSA-N