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| CAS No.: | 490-31-3 |
|---|---|
| Name: | ROBINETIN |
| Molecular Structure: | |
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| Formula: | C15H10 O7 |
| Molecular Weight: | 302.24 |
| Synonyms: | Flavone,3,3',4',5',7-pentahydroxy- (8CI); Robinetin (6CI);3,3',4',5',7-Pentahydroxyflavone; 3,7,3',4',5'-Pentahydroxyflavone; NSC 407331;NSC 656274; Norkanugin |
| EINECS: | 207-709-6 |
| Density: | 1.799 g/cm3 |
| Melting Point: | 326-328°C |
| Boiling Point: | 669.9 °C at 760 mmHg |
| Flash Point: | 258.6 °C |
| Risk Codes: | 22 |
| Safety: | Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 131.36000 |
| LogP: | 1.98800 |
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7-benzyloxy-3-hydroxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one
- 490-31-3
robinetin
| Conditions | Yield |
|---|---|
| With boron tribromide In dichloromethane at 20℃; for 22h; | 99% |
- 490-31-3
robinetin
| Conditions | Yield |
|---|---|
| With boron tribromide In dichloromethane at 20℃; for 48h; Inert atmosphere; | 81% |
- 132594-09-3
Robinetin trimethyl ether
- 490-31-3
robinetin
| Conditions | Yield |
|---|---|
| With hydrogen iodide; acetic anhydride |
- 223902-81-6
3,7,3'-trimethoxy-4',5'-dihydroxyflavone
- 490-31-3
robinetin
| Conditions | Yield |
|---|---|
| With hydrogen iodide; acetic anhydride |
- 20979-43-5
7-hydroxy-3-methoxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one
- 490-31-3
robinetin
| Conditions | Yield |
|---|---|
| With hydrogen iodide; acetic anhydride |
| Conditions | Yield |
|---|---|
| With sulfuric acid Durchleiten von Luft; |
- 29682-12-0
1-[4-(benzyloxy)-2-hydroxyphenyl]ethanone
- 490-31-3
robinetin
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: potassium hydroxide / ethanol / 144 h 2: 84 mg / H2O2; NaOH / tetrahydrofuran; H2O / 47 h / cooling 3: 99 percent / boron tribromide / CH2Cl2 / 22 h / 20 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 87 percent / potassium carbonate / acetone / 18 h / Heating 2: potassium hydroxide / ethanol / 144 h 3: 84 mg / H2O2; NaOH / tetrahydrofuran; H2O / 47 h / cooling 4: 99 percent / boron tribromide / CH2Cl2 / 22 h / 20 °C View Scheme |
- 490-31-3
robinetin
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 84 mg / H2O2; NaOH / tetrahydrofuran; H2O / 47 h / cooling 2: 99 percent / boron tribromide / CH2Cl2 / 22 h / 20 °C View Scheme |
- 57280-75-8
2',4'-dihydroxy-2-methoxyacetophenone
- 490-31-3
robinetin
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium-<3,4,5-trimethoxy benzoate> / 180 °C / Erwaermen des Reaktionsprodukts mit wss.-aethanol. Kalilauge 2: acetic acid anhydride; aqueous hydriodic acid View Scheme |
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Chemistry
Molecule structure of Robinetin (CAS NO.490-31-3) :
IUPAC Name: 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Molecular Weight: 302.2357 g/mol
Molecular Formula: C15H10O7
Density: 1.799 g/cm3
Melting Point: 326-328 °C
Boiling Point: 669.9 °C at 760 mmHg
Flash Point: 258.6 °C
Index of Refraction: 1.823
Molar Refractivity: 73.31 cm3
Molar Volume: 167.9 cm3
Polarizability: 29.06×10-24 cm3
Surface Tension: 114.8 dyne/cm
Enthalpy of Vaporization: 103.42 kJ/mol
Vapour Pressure: 7.35E-19 mmHg at 25 °C
XLogP3-AA: 1.6
H-Bond Donor: 5
H-Bond Acceptor: 7
Rotatable Bond Count: 1
Tautomer Count: 267
Exact Mass: 302.042653
MonoIsotopic Mass: 302.042653
Topological Polar Surface Area: 128
Heavy Atom Count: 22
Complexity: 476
Canonical SMILES: C1=CC2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C(=C3)O)O)O
InChI: InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H
InChIKey: SOEDEYVDCDYMMH-UHFFFAOYSA-N
EINECS: 207-709-6
Product Categories of Robinetin (CAS NO.490-31-3) : Flavanols; Penta-substituted Flavones
Toxicity Data With Reference
| 1. | mmo-sat 100 µg/plate | BCSTB5 Biochemical Society Transactions. 5 (1977),1489. | ||
| 2. | mma-sat 100 µg/plate | BCSTB5 Biochemical Society Transactions. 5 (1977),1489. |
Safety Profile
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Risk Statements: 22
R22:Harmful if swallowed.
Safety Statements: 22-45
S22:Do not breathe dust.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 2811
Specification
Robinetin (CAS NO.490-31-3) is also called 3,3',4',5',7-Pentahydroxyflavone ; 3,7,3',4',5'-Pentahydroxuflavone ; 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- ; 5-18-05-00562 (Beilstein Handbook Reference) ; 5-Hydroxyfisetin ; BRN 0308905 ; CCRIS 7520 ; Flavone, 3,3',4',5',7-pentahydroxy- ; NSC 407331 ; NSC 656274 ; Norkanugin ; 3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-benzopyrone ; 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- (9CI) .