Product Name

  • Name

    ROBINETIN

  • EINECS 207-709-6
  • CAS No. 490-31-3
  • Article Data7
  • CAS DataBase
  • Density 1.799 g/cm3
  • Solubility
  • Melting Point 326-328°C
  • Formula C15H10 O7
  • Boiling Point 669.9 °C at 760 mmHg
  • Molecular Weight 302.24
  • Flash Point 258.6 °C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 490-31-3 (ROBINETIN)
  • Hazard Symbols
  • 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
  • PSA 131.36000
  • LogP 1.98800

Synthetic route

7-benzyloxy-3-hydroxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one
354119-95-2

7-benzyloxy-3-hydroxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one

robinetin
490-31-3

robinetin

Conditions
ConditionsYield
With boron tribromide In dichloromethane at 20℃; for 22h;99%
3-Hydroxy-7,3',4',5'-tetramethoxyflavone

3-Hydroxy-7,3',4',5'-tetramethoxyflavone

robinetin
490-31-3

robinetin

Conditions
ConditionsYield
With boron tribromide In dichloromethane at 20℃; for 48h; Inert atmosphere;81%
Robinetin trimethyl ether
132594-09-3

Robinetin trimethyl ether

robinetin
490-31-3

robinetin

Conditions
ConditionsYield
With hydrogen iodide; acetic anhydride
3,7,3'-trimethoxy-4',5'-dihydroxyflavone
223902-81-6

3,7,3'-trimethoxy-4',5'-dihydroxyflavone

robinetin
490-31-3

robinetin

Conditions
ConditionsYield
With hydrogen iodide; acetic anhydride
7-hydroxy-3-methoxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one
20979-43-5

7-hydroxy-3-methoxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one

robinetin
490-31-3

robinetin

Conditions
ConditionsYield
With hydrogen iodide; acetic anhydride
Dihydrorobinetin
4382-33-6

Dihydrorobinetin

robinetin
490-31-3

robinetin

Conditions
ConditionsYield
With sulfuric acid Durchleiten von Luft;
1-[4-(benzyloxy)-2-hydroxyphenyl]ethanone
29682-12-0

1-[4-(benzyloxy)-2-hydroxyphenyl]ethanone

robinetin
490-31-3

robinetin

Conditions
ConditionsYield
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
2',4'-dihydroxy-4-acetophenone
89-84-9

2',4'-dihydroxy-4-acetophenone

robinetin
490-31-3

robinetin

Conditions
ConditionsYield
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
1-(4-benzyloxy-2-hydroxy-phenyl)-3-(3,4,5-trimethoxy-phenyl)-propenone

1-(4-benzyloxy-2-hydroxy-phenyl)-3-(3,4,5-trimethoxy-phenyl)-propenone

robinetin
490-31-3

robinetin

Conditions
ConditionsYield
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
2',4'-dihydroxy-2-methoxyacetophenone
57280-75-8

2',4'-dihydroxy-2-methoxyacetophenone

robinetin
490-31-3

robinetin

Conditions
ConditionsYield
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
3,4,5-trimethoxybenzoic anhydride
1719-88-6

3,4,5-trimethoxybenzoic anhydride

robinetin
490-31-3

robinetin

Conditions
ConditionsYield
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
3-hydroxy-7-methoxymethoxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one
109980-57-6

3-hydroxy-7-methoxymethoxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one

robinetin
490-31-3

robinetin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: acetic acid; aqueous sulfuric acid
2: acetic acid anhydride; aqueous hydriodic acid
View Scheme
(E)‐1‐(2‐hydroxy‐4‐methoxyphenyl)‐3‐(3,4,5‐trimethoxyphenyl)prop‐2‐en‐1‐one
13745-26-1, 142955-69-9

(E)‐1‐(2‐hydroxy‐4‐methoxyphenyl)‐3‐(3,4,5‐trimethoxyphenyl)prop‐2‐en‐1‐one

robinetin
490-31-3

robinetin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide; dihydrogen peroxide / ethanol; water / 20 °C
2: boron tribromide / dichloromethane / 48 h / 20 °C / Inert atmosphere
View Scheme
1-(2-hydroxy-4-methoxyphenyl)ethanone
552-41-0

1-(2-hydroxy-4-methoxyphenyl)ethanone

robinetin
490-31-3

robinetin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium hydroxide / ethanol / 20 °C
2: sodium hydroxide; dihydrogen peroxide / ethanol; water / 20 °C
3: boron tribromide / dichloromethane / 48 h / 20 °C / Inert atmosphere
View Scheme
3,4,5-trimethoxy-benzaldehyde
86-81-7

3,4,5-trimethoxy-benzaldehyde

robinetin
490-31-3

robinetin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium hydroxide / ethanol / 20 °C
2: sodium hydroxide; dihydrogen peroxide / ethanol; water / 20 °C
3: boron tribromide / dichloromethane / 48 h / 20 °C / Inert atmosphere
View Scheme
diazomethane
186581-53-3, 908094-01-9

diazomethane

robinetin
490-31-3

robinetin

3,7,3',4',5'-O-pentamethylrobinetin
19056-76-9

3,7,3',4',5'-O-pentamethylrobinetin

Conditions
ConditionsYield
With methanol; diethyl ether
robinetin
490-31-3

robinetin

acetic anhydride
108-24-7

acetic anhydride

3,7-diacetoxy-2-(3,4,5-triacetoxy-phenyl)-chromen-4-one
73489-98-2

3,7-diacetoxy-2-(3,4,5-triacetoxy-phenyl)-chromen-4-one

Conditions
ConditionsYield
With pyridine
robinetin
490-31-3

robinetin

dimethyl sulfate
77-78-1

dimethyl sulfate

3,7,3',4',5'-O-pentamethylrobinetin
19056-76-9

3,7,3',4',5'-O-pentamethylrobinetin

Conditions
ConditionsYield
With potassium carbonate; acetone
robinetin
490-31-3

robinetin

C15H7O7

C15H7O7

Conditions
ConditionsYield
With 2,2-diphenyl-1-(2,4,6-trinitrophenyl)hydrazyl In methanol at 25℃; Kinetics; Further Variations:; Solvents;

Robinetin Chemical Properties

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

Robinetin 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.

Robinetin 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

Robinetin 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) .

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