CAS No.490-31-3,ROBINETIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	490-31-3
Name:	ROBINETIN
Article Data:	7

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

Synthetic route

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

: 490-31-3
robinetin

Conditions

Conditions	Yield
With boron tribromide In dichloromethane at 20℃; for 22h;	99%

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

: 490-31-3
robinetin

Conditions

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

Conditions	Yield
With hydrogen iodide; acetic anhydride

: 223902-81-6
3,7,3'-trimethoxy-4',5'-dihydroxyflavone

: 490-31-3
robinetin

Conditions

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

Conditions	Yield
With hydrogen iodide; acetic anhydride

: 4382-33-6
Dihydrorobinetin

: 490-31-3
robinetin

Conditions

Conditions	Yield
With sulfuric acid Durchleiten von Luft;

: 29682-12-0
1-[4-(benzyloxy)-2-hydroxyphenyl]ethanone

: 490-31-3
robinetin

Conditions

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

: 89-84-9
2',4'-dihydroxy-4-acetophenone

: 490-31-3
robinetin

Conditions

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

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

: 490-31-3
robinetin

Conditions

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

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) .