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| CAS No.: | 38183-03-8 |
|---|---|
| Name: | 4H-1-Benzopyran-4-one,7,8-dihydroxy-2-phenyl- |
| Article Data: | 21 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C15H10O4 |
| Molecular Weight: | 254.242 |
| Synonyms: | Flavone,7,8-dihydroxy- (6CI);7,8-Dihydroxy-2-phenyl-4H-chromen-4-one;7,8-Dihydroxyflavone; |
| EINECS: | 253-812-4 |
| Density: | 1.443 g/cm3 |
| Melting Point: | 243-246°C |
| Boiling Point: | 494.4 °C at 760 mmHg |
| Flash Point: | 193.5 °C |
| Solubility: | N/A |
| Appearance: | N/A |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| Safety: | 24/25 |
| Transport Information: | N/A |
| PSA: | 70.67000 |
| LogP: | 2.87120 |
7-hydroxyflavone
7,8-dihydroxyflavone
| Conditions | Yield |
|---|---|
| With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In dimethyl sulfoxide at 80℃; for 24h; | 98% |
| With dipotassium peroxodisulfate; alkaline solution Erwaermen des Reaktionsprodukts mit wss. Salzsaeure; | |
| Multi-step reaction with 2 steps 1: aluminium chloride / 160 °C 2: aq. NaOH solution; aqueous hydrogen peroxide View Scheme | |
| With cytochromes P450 in human liver microsomes Kinetics; Enzymatic reaction; |
C29H22O4
7,8-dihydroxyflavone
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; hydrogen In tetrahydrofuran; methanol at 40℃; under 4560.31 - 6080.41 Torr; | 90.5% |
| With palladium 10% on activated carbon; hydrogen In tetrahydrofuran; methanol at 20℃; for 3h; | 83% |
C29H18O6
7,8-dihydroxyflavone
| Conditions | Yield |
|---|---|
| With sodium methylate In ethanol; dichloromethane | 63% |
| With water; sodium hydroxide In 1,4-dioxane; methanol at 20℃; |
8-acetyl-7-hydroxy-2-phenyl-chromen-4-one
7,8-dihydroxyflavone
| Conditions | Yield |
|---|---|
| With sodium hydroxide; dihydrogen peroxide |
1-(3,4-bis-benzoyloxy-2-hydroxy-phenyl)-3-phenyl-propane-1,3-dione
7,8-dihydroxyflavone
| Conditions | Yield |
|---|---|
| With sodium acetate; acetic acid Erwaermen des Reaktionsprodukts mit methanol. Kalilauge; |
| Conditions | Yield |
|---|---|
| With diphenylether |
1-(3,4-bis-benzoyloxy-2-hydroxy-phenyl)-3-phenyl-propane-1,3-dione
sodium acetate
acetic acid
7,8-dihydroxyflavone
| Conditions | Yield |
|---|---|
| anschliessend Erhitzen mit wss.-methanol. Kalilauge; |
2-hydroxyresorcinol
7,8-dihydroxyflavone
| Conditions | Yield |
|---|---|
| With aluminium trichloride; nitrobenzene Behandeln der Reaktionsloesung mit Phenylpropioloylchlorid und Benzol; | |
| Multi-step reaction with 6 steps 1: boron trifluoride diethyl etherate / 50 - 100 °C / Inert atmosphere; Large scale 2: potassium iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene / 6 h / 90 - 110 °C / Inert atmosphere; Large scale 3: hydrogenchloride; acetic acid / water / 3 h / 20 °C 4: potassium hydroxide / water; ethanol / 20 - 30 °C 5: iodine / dimethyl sulfoxide / 7 h / 110 °C / Inert atmosphere 6: palladium on activated charcoal; hydrogen / methanol; tetrahydrofuran / 40 °C / 4560.31 - 6080.41 Torr View Scheme |
1-Phenyl-3-(2,3,4-trihydroxy-phenyl)-propane-1,3-dione
7,8-dihydroxyflavone
| Conditions | Yield |
|---|---|
| With sulfuric acid In acetic acid at 95 - 100℃; Yield given; |
benzoic acid anhydride
7,8-dihydroxyflavone
| Conditions | Yield |
|---|---|
| With sodium benzoate at 180 - 185℃; Kochen des Reaktionsprodukts mit waessrig-alkoholischer Kalilauge; |
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The 4H-1-Benzopyran-4-one,7,8-dihydroxy-2-phenyl-, with CAS registry number 38183-03-8, belongs to the following product categories: (1)Di-substituted Flavones; (2)Biochemistry; (3)Flavonoids. It has the systematic name of 7,8-dihydroxy-2-phenyl-4H-chromen-4-one. Its classification code is Mutation data. When use this chemical, avoid contact with skin and eyes. What's more, its EINECS is 253-812-4.
Physical properties of 4H-1-Benzopyran-4-one,7,8-dihydroxy-2-phenyl-: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 45.16; (6)ACD/BCF (pH 7.4): 9.82; (7)ACD/KOC (pH 5.5): 525.11; (8)ACD/KOC (pH 7.4): 114.21; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 67.97 cm3; (15)Molar Volume: 176.1 cm3; (16)Polarizability: 26.94×10-24cm3; (17)Surface Tension: 68.2 dyne/cm; (18)Density: 1.443 g/cm3; (19)Flash Point: 193.5 °C; (20)Enthalpy of Vaporization: 79.07 kJ/mol; (21)Boiling Point: 494.4 °C at 760 mmHg; (22)Vapour Pressure: 2.13E-10 mmHg at 25°C.
Preparation: this chemical can be prepared by C29H18O6. This reaction will need reagent NaOMe and solvents ethanol, CH2Cl2. The yield is about 63%.
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Uses of 4H-1-Benzopyran-4-one,7,8-dihydroxy-2-phenyl-: it can be used to produce 7,8-dihydroxy-2-phenyl-chromene-4-thione. This reaction will need reagent Lawesson's reagent and solvent toluene. The reaction time is 30 min with reaction temperature of 40 ℃. The yield is about 77%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(O/C(=C/1)c2ccccc2)c(O)c(O)cc3
(2)InChI: InChI=1/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H
(3)InChIKey: COCYGNDCWFKTMF-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H
(5)Std. InChIKey: COCYGNDCWFKTMF-UHFFFAOYSA-N
