Scutellarein supplier | CasNO.529-53-3

Name
SCUTELLAREIN
EINECS 1806241-263-5
CAS No. 529-53-3
Article Data69
CAS DataBase
Density 1.654g/cm³
Solubility
Melting Point 330°C
Formula C₁₅H₁₀O₆
Boiling Point 642.9°Cat760mmHg
Molecular Weight 286.241
Flash Point 249.9°C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Flavone,4',5,6,7-tetrahydroxy- (7CI,8CI);Scutellarein (6CI);4',5,6,7-Tetrahydroxyflavone;6-Hydroxyapigenin;
PSA 111.13000
LogP 2.28240

Synthetic route

: 19103-54-9
5-hydroxy-4',6,7-trimethoxyflavone

: 529-53-3
scutellarein

Conditions

Conditions	Yield
With hydrogen bromide; acetic acid In water	97%

: 119262-68-9
scutellarein 7-O-β-D-glucuronopyranoside methyl ester

: 529-53-3
scutellarein

Conditions

Conditions	Yield
With sulfuric acid In ethanol; water at 95℃; for 7h; Temperature; Time; Inert atmosphere;	96%
With hydrogenchloride In ethanol at 90℃; for 12h; Reagent/catalyst; Temperature; Inert atmosphere;	92.1%

: 1168-42-9
5,6,7,4'-tetramethoxyflavone

: 529-53-3
scutellarein

Conditions

Conditions	Yield
With hydrogen bromide; acetic acid at 125℃; for 22h; Temperature; Inert atmosphere;	94%
With hydrogen bromide; acetic acid at 120℃; for 24h; Inert atmosphere;	90%
With hydrogen iodide

: 27740-01-8
scutellarin

: 529-53-3
scutellarein

Conditions

Conditions	Yield
With sulfuric acid; water at 20℃; for 0.166667h; Concentration;	93%
With sulfuric acid In ethanol; water at 120℃; for 48h; Inert atmosphere;	85%
With sulfuric acid In water at 90℃; for 20h;	45%

: 1180-46-7
4,5,6,7-tetra-O-acetylflavone

: 529-53-3
scutellarein

Conditions

Conditions	Yield
With methanol; sulfuric acid for 23h; Reagent/catalyst; Solvent; Temperature; Reflux;	92.3%

: 6938-19-8
6-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

: 529-53-3
scutellarein

Conditions

Conditions	Yield
With pyridine hydrochloride at 190 - 200℃; Cooling with ice; Inert atmosphere;	86%
With pyridine hydrochloride at 180℃; for 6h; Inert atmosphere;	2.6 g

: 6563-66-2
5,6,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one

: 529-53-3
scutellarein

Conditions

Conditions	Yield
With hydrogen bromide; acetic acid for 23h; Heating;	82%

: 15044-65-2
7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

: 529-53-3
scutellarein

Conditions

Conditions	Yield
With hydrogen iodide

: 6601-66-7
6-demethoxytangeretin

: 529-53-3
scutellarein

Conditions

Conditions	Yield
With hydrogen iodide; acetic anhydride

: 1447-88-7
hispidulin

: 529-53-3
scutellarein

Conditions

Conditions	Yield
With pyridine hydrochloride for 3h;

: 26046-94-6
plantaginin

A: 2280-44-6
D-Glucose

B: 529-53-3
scutellarein

Conditions

Conditions	Yield
With hydrogenchloride for 2h;
With hydrogenchloride In methanol for 3h; Heating;

: 41440-05-5
isoscutellarein

: 529-53-3
scutellarein

Conditions

Conditions	Yield
With hydrogenchloride In methanol; water at 100℃; for 4h;

: 7647-01-0
hydrogenchloride

: 41440-05-5
isoscutellarein

: 529-53-3
scutellarein

pectolinarigenin: pectolinarigenin

: 529-53-3
scutellarein

Conditions

Conditions	Yield
With hydrogen iodide

scutellarin: scutellarin

: 529-53-3
scutellarein

Conditions

Conditions	Yield
With sulfuric acid

: 859076-89-4
1-(4-methoxy-phenyl)-3-(2,3,4,6-tetramethoxy-phenyl)-propane-1,3-dione

: 10034-85-2
hydrogen iodide

: 529-53-3
scutellarein

: 859076-89-4
1-(4-methoxy-phenyl)-3-(2,3,4,6-tetramethoxy-phenyl)-propane-1,3-dione

: 10034-85-2
hydrogen iodide

A: 529-53-3
scutellarein

B: 41440-05-5
isoscutellarein

Conditions

Conditions	Yield
at 135℃;

...Expand

: scutellarein 6,7-di-O-β-D-glucuronide

: 529-53-3
scutellarein

Conditions

Conditions	Yield
With 4b-glucuronidase at 37℃; for 2h; pH=5.2;

: 26046-94-6
plantaginin

: 529-53-3
scutellarein

Conditions

Conditions	Yield
Acid hydrolysis;
With water Acidic conditions;

: 480-66-0
2,4,6-trihydroxyacetophenone

: 529-53-3
scutellarein

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: K2CO3 / acetone / 0.17 h / 20 °C 1.2: 45 percent / acetone / 24 h / Heating 2.1: ZnCl2; AcOH / 2 h / 140 - 150 °C 3.1: 84 mg / aq. NaOH; aq. H2O2 / 3 h / cooling 4.1: 82 percent / aq. HBr; acetic acid / 23 h / Heating View Scheme

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: 529-53-3
scutellarein

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: ZnCl2; AcOH / 2 h / 140 - 150 °C 2: 84 mg / aq. NaOH; aq. H2O2 / 3 h / cooling 3: 82 percent / aq. HBr; acetic acid / 23 h / Heating View Scheme

: 101737-23-9
pectolinarigenin

: 529-53-3
scutellarein

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 84 mg / aq. NaOH; aq. H2O2 / 3 h / cooling 2: 82 percent / aq. HBr; acetic acid / 23 h / Heating View Scheme

: 100-07-2
4-methoxy-benzoyl chloride

: 529-53-3
scutellarein

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: K2CO3 / acetone / 0.17 h / 20 °C 1.2: 45 percent / acetone / 24 h / Heating 2.1: ZnCl2; AcOH / 2 h / 140 - 150 °C 3.1: 84 mg / aq. NaOH; aq. H2O2 / 3 h / cooling 4.1: 82 percent / aq. HBr; acetic acid / 23 h / Heating View Scheme
Multi-step reaction with 3 steps 1: sodium hydroxide / water / 5 h / 0 - 25 °C / pH 10 - 11 2: 12 h / 140 - 160 °C / 600.06 - 675.07 Torr 3: hydrogen bromide; L-valine / 32 h / 124 °C View Scheme

: 7499-99-2
1-(2,4-dihydroxy-3,6-dimethoxy)phenylethanone

: 529-53-3
scutellarein

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium-<4-methoxy benzoate> 2: aqueous hydriodic acid View Scheme

: 794-94-5
p-Methoxybenzoic anhydride

: 529-53-3
scutellarein

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium-<4-methoxy benzoate> 2: aqueous hydriodic acid View Scheme

: 724459-08-9
1-(6-hydroxy-2,3,4-trimethoxy-phenyl)-3-(4-methoxy-phenyl)-propane-1,3-dione

: 529-53-3
scutellarein

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetic acid; sodium acetate 2: acetic acid anhydride; aqueous hydriodic acid View Scheme

: 5,6,7-trihydroxy-2-[4-({5-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-α-L-arabinofuranosyl}oxy)phenyl]-4H-1-benzopyran-4-one

A: 7400-08-0
p-Coumaric Acid

B: 529-53-3
scutellarein

Conditions

Conditions	Yield
With hydrogenchloride; water for 0.666667h; Reflux;

: 529-53-3
scutellarein

: 100-39-0
benzyl bromide

: 62252-32-8
7-(benzyloxy)-2-(4-(benzyloxy)phenyl)-5,6-dihydroxy-4H-chromen-4-one

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 12h; Inert atmosphere;	93%
With potassium carbonate In acetone for 6h; Solvent; Time; Temperature; Reflux;	53.8%

Scutellarein Specification

The Scutellarein with cas registry number of 529-53-3, belongs to the following product categorie: Tetra-substituted Flavones. It has the systematic name of 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one. And its IUPAC name is 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one.

Physical properties about this chemical are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 40.87; (6)ACD/BCF (pH 7.4): 1.95; (7)ACD/KOC (pH 5.5): 468.59; (8)ACD/KOC (pH 7.4): 22.32; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.22 Å²; (13)Index of Refraction: 1.767; (14)Molar Refractivity: 71.73 cm³; (15)Molar Volume: 172.9 cm³; (16)Polarizability: 28.43×10^-24cm³; (17)Surface Tension: 92.5 dyne/cm; (18)Enthalpy of Vaporization: 98.33 kJ/mol; (19)Vapour Pressure: 3.97E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(O)c(O)c(O)cc3O/C(=C/1)c2ccc(O)cc2;
(2)InChI: InChI=1/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H;
(3)InChIKey: JVXZRQGOGOXCEC-UHFFFAOYAD;
(4)Std. InChI: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H;
(5)Std. InChIKey: JVXZRQGOGOXCEC-UHFFFAOYSA-N

Product Name

SCUTELLAREIN

Synthetic route

Scutellarein Specification

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