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Cas Database |
| Name |
Sinensetin |
EINECS | N/A |
| CAS No. | 2306-27-6 | Density | 1.244 g/cm3 |
| PSA | 76.36000 | LogP | 3.50300 |
| Solubility | Partly soluble in water | Melting Point |
174-176°C |
| Formula | C20H20O7 | Boiling Point | 547.76 °C at 760 mmHg |
| Molecular Weight | 372.375 | Flash Point | 240.561 °C |
| Transport Information | N/A | Appearance | pale creamy yellow powder |
| Safety | 22-24/25 | Risk Codes | 25 |
| Molecular Structure |
|
Hazard Symbols | T |
| Synonyms |
Flavone,3',4',5,6,7-pentamethoxy- (8CI);Sinensetin (7CI);3',4',5,6,7-Pentamethoxyflavone;5,6,7,3',4'-Pentamethoxyflavone;Pedalitinpermethyl ether;Sinensetin; |
Article Data | 25 |
Sinensetin Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: 3,4-dimethoxybenzoic acid chloride; Eudesmic acid With triethylamine In dichloromethane at 0 - 20℃; for 2h; Stage #2: With trimethylsilyl trifluoromethanesulfonate; triethylamine In dichloromethane at 95℃; for 2h; | 81% |
- 114021-62-4
(E)-3-(3,4-dimethoxyphenyl)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)prop-2-en-1-one
- 2306-27-6
sinensetin
| Conditions | Yield |
|---|---|
| With pyridine; iodine for 8h; Heating; | 71% |
| With selenium(IV) oxide; pentan-1-ol |
| Conditions | Yield |
|---|---|
| With phosphorus pentaoxide; methanesulfonic acid for 4h; Ambient temperature; | 26% |
| Conditions | Yield |
|---|---|
| In methanol; dichloromethane for 16h; | 24% |
- 6962-57-8
3,6-dihydroxy-2,4-dimethoxyacetophenone
- 24824-54-2
3,4-dimethoxybenzoic anhydride
- 2306-27-6
sinensetin
| Conditions | Yield |
|---|---|
| With sodium 3,4-dimethoxybenzoate at 180℃; unter vermindertem Druck; Erwaermen des Reaktionsprodukts mit aethanol. Kalilauge und Behandeln des danach isolierten Reaktionsprodukts mit Dimethylsulfat, Kaliumcarbonat und Aceton; |
| Conditions | Yield |
|---|---|
| With potassium carbonate; acetone | |
| With potassium carbonate In acetone for 20h; Heating; | 70 mg |
| With potassium carbonate In acetone for 2h; Heating; | 0.200 g |
- 186581-53-3, 908094-01-9
diazomethane
- 51145-80-3
4'-hydroxy-5,6,7,3'-tetramethoxyflavone
- 2306-27-6
sinensetin
| Conditions | Yield |
|---|---|
| In diethyl ether |
- 22934-99-2
5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6-methoxy-chromen-4-one
- 77-78-1
dimethyl sulfate
- 2306-27-6
sinensetin
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone |
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone for 4h; |
- 7446-08-4
selenium(IV) oxide
- 71-41-0
pentan-1-ol
- 114021-62-4
(E)-3-(3,4-dimethoxyphenyl)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)prop-2-en-1-one
- 2306-27-6
sinensetin
Sinensetin Specification
The cas register number of Sinensetin is 2306-27-6. It also can be called as 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy- and the Systematic name about this chemical is 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one.
Physical properties about Sinensetin are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.93; (6)ACD/BCF (pH 7.4): 129.93; (7)ACD/KOC (pH 5.5): 1133.97; (8)ACD/KOC (pH 7.4): 1133.97; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 72.45Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 97.59 cm3; (15)Molar Volume: 299.2 cm3; (16)Surface Tension: 43.5 dyne/cm; (17)Density: 1.244 g/cm3; (18)Flash Point: 240.6 °C; (19)Enthalpy of Vaporization: 82.72 kJ/mol; (20)Boiling Point: 547.8 °C at 760 mmHg; (21)Vapour Pressure: 4.73E-12 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
People do not breathe dust and avoid contact with skin and eyes.
People can use the following data to convert to the molecule structure.
1.SMILES: O=C\1c3c(OC)c(OC)c(OC)cc3O/C(=C/1)c2ccc(OC)c(OC)c2
2.InChI: InChI=1/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
3.InChIKey: LKMNXYDUQXAUCZ-UHFFFAOYAJ
4.Std. InChI: InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
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