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| CAS No.: | 23432-39-5 |
|---|---|
| Name: | 4-HYDROXY-6-METHOXYQUINOLINE |
| Molecular Structure: | |
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| Formula: | C10H9NO2 |
| Molecular Weight: | 175.187 |
| Synonyms: | 4-Hydroxy-6-methoxyquinoline;6-Methoxy-4-quinolinol;NSC 76096;6-Methoxy-4-hydroxyquinoline; |
| EINECS: | -0 |
| Density: | 1.258 g/cm3 |
| Melting Point: | 225-244 °C(Solv: water (7732-18-5)) |
| Boiling Point: | 351.846 °C at 760 mmHg |
| Flash Point: | 166.591 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-41 |
| Safety: | 26-39 |
| PSA: | 42.35000 |
| LogP: | 1.94900 |
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Specification
The IUPAC name of 6-Methoxy-4-hydroxyquinoline is 6-Methoxy-1H-quinolin-4-one. With the CAS registry number 23432-39-5, it is also named as 4-Hydroxy-6-methoxyquinoline. The product's category is Quinoline & Isoquinoline. In addition, its molecular formula is C10H9NO2 and molecular weight is 175.18.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.67; (6)ACD/KOC (pH 7.4): 1.68; (7)H bond acceptors: 3; (8)H bond donors: 1; (9)Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 48.18 cm3; (13)Molar Volume: 146 cm3; (14)Polarizability: 19.1×10-24cm3; (15)Surface Tension: 42.1 dyne/cm; (16)Density: 1.199 g/cm3; (17)Flash Point: 148.2 °C; (18)Enthalpy of Vaporization: 56.33 kJ/mol; (19)Boiling Point: 321.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000296 mmHg at 25 °C.
Preparation of 6-Methoxy-4-hydroxyquinoline: this chemical can be prepared by 3-(4-Methoxy-phenylamino)-acrylic acid methyl ester.
This reaction needs Dowtherm ATM at temperature of 250 °C. The reaction time is 30 min. The yield is 95 %.
Uses of 6-Methoxy-4-hydroxyquinoline: it can react with 6-Bromo-hexanoic acid ethyl ester to get 6-(6-Methoxy-quinolin-4-yloxy)-hexanoic acid ethyl ester and 6-(6-Methoxy-4-oxo-4H-quinolin-1-yl)-hexanoic acid ethyl ester.
This reaction needs K2CO3 and Ethanol by heating. The reaction time is 6 hours. The yield is 12 %.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C\2c1c(ccc(OC)c1)N/C=C/2
(2)InChI:InChI=1/C10H9NO2/c1-13-7-2-3-9-8(6-7)10(12)4-5-11-9/h2-6H,1H3,(H,11,12)
(3)InChIKey:RVTLXJLNIDCHKT-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C10H9NO2/c1-13-7-2-3-9-8(6-7)10(12)4-5-11-9/h2-6H,1H3,(H,11,12)
(5)Std. InChIKey:RVTLXJLNIDCHKT-UHFFFAOYSA-N