CAS No.491-67-8,Baicalein Suppliers

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Basic Information

Molecular Structure:
CAS No.:	491-67-8
Name:	Baicalein
Article Data:	47

Formula:	C₁₅H₁₀O₅
Molecular Weight:	270.241
Synonyms:	Baicalein(6CI);Flavone, 5,6,7-trihydroxy- (7CI,8CI);5,6,7-Trihydroxyflavone;NSC 661431;Noroxylin;
Density:	1.548 g/cm³
Melting Point:	256-271 °C(lit.)
Boiling Point:	575.932 °C at 760 mmHg
Flash Point:	225.257 °C
Appearance:	Yellow crystalline solid
Hazard Symbols:	Xi,Xn
Risk Codes:	36/37/38-20/21/22
Safety:	26-36
PSA:	90.90000
LogP:	2.57680

Synthetic route

: 21967-41-9
baicalin

: 491-67-8
5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With sulfuric acid; water at 20℃; for 0.166667h;	93%
With sulfuric acid In water at 90℃; for 0.0833333h;	71.9%
With sulfuric acid at 90℃; for 0.166667h;	29.3%

: 82475-03-4
Baicalin methyl ester

: 491-67-8
5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With sulfuric acid In ethanol; water at 95℃; for 8.5h; Inert atmosphere;	97%
With hydrogenchloride In ethanol at 85℃; for 12h; Temperature; Reagent/catalyst; Inert atmosphere;	91.8%

: 119892-40-9
5,7-dimethoxy-6-hydroxyflavone

: 491-67-8
5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With hydrogen bromide at 120 - 130℃; Reagent/catalyst; Temperature; Reflux;	91%
With hydrogen bromide at 120℃; Reagent/catalyst; Temperature; Inert atmosphere;	88%
Multi-step reaction with 2 steps 1: potassium carbonate; acetone 2: aqueous hydriodic acid; acetic acid anhydride / 140 °C View Scheme

: 973-67-1
5,6,7-trimethoxyflavone

: 491-67-8
5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With hydrogen bromide; acetic acid at 130℃;	92%
With hydrogen bromide; acetic acid for 18h; Heating;	89%
With pyridine hydrochloride at 190℃; for 6.5h; Inert atmosphere;	85%

: 29550-13-8
5,6-dihydroxy-7-methoxyflavone

: 491-67-8
5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With water; hydrogen bromide; acetic acid for 18h; Reflux;	85%
With water; hydrogen bromide; Aliquat 336 at 105℃; for 8h; Catalytic behavior;	80%
With hydrogen iodide; acetic anhydride

: 67047-05-6
4-oxo-2-phenyl-4H-1-benzopyran-5,6,7-triyl triacetate

: 491-67-8
5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
Stage #1: 4-oxo-2-phenyl-4H-1-benzopyran-5,6,7-triyl triacetate With sodium hydroxide In water; acetone at 0℃; for 1h; Stage #2: With hydrogenchloride In water; acetone pH=6 - 7;	66.7%

: 480-11-5
oroxylin A

: 491-67-8
5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With water; hydrogen bromide; Aliquat 336 at 105℃; for 7h; Catalytic behavior;	84%
With hydrogen bromide; acetic acid for 12h; Heating;	81%

: 671791-94-9
2',4',5',6'-tetrahydroxyflavone

: 491-67-8
5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With hydrogenchloride; lithium hydroxide; sulfuric acid In tetrahydrofuran; acetic acid

: C15H12O6

: 491-67-8
5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With sulfuric acid; acetic acid for 1h; Reflux;

: 28279-72-3
baicalein 6-O-β-D-glucopyranoside

: 491-67-8
5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With hydrogenchloride In methanol at 90℃; for 0.5h;

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Specification

The Baicalein, with the CAS registry number 491-67-8, is also known as 5,6,7-Trihydroxy-2-phenyl-4H-chromen-4-one. It belongs to the product categories of Tri-substituted Flavones; The group of Scutellaria; Inhibitors; Aromatics; Heterocycles. This chemical's molecular formula is C₁₅H₁₀O₅ and molecular weight is 270.24. What's more, its IUPAC name is called 5,6,7-Trihydroxy-2-phenylchromen-4-one. It should be stored in a cool, dry and well-ventilated place. This chemical is a flavone, a type of flavonoid, originally isolated from the roots of Scutellaria baicalensis. It is used as an inhibitor of 12-lipoxygenase, leukotriene biosynthesis and release of lysosomal enzymes. Baicalein also inhibits cellular Ca2+ uptake and mobilization and adjuvant-induced arthritis. It is the flavonoid component of Nepalese and Sino-Japanese crude d.

Physical properties about Baicalein are: (1)ACD/LogP: 3.641; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 281.14; (6)ACD/BCF (pH 7.4): 12.89; (7)ACD/KOC (pH 5.5): 1859.72; (8)ACD/KOC (pH 7.4): 85.24; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 86.99 Å²; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 69.852 cm³; (15)Molar Volume: 174.563 cm³; (16)Polarizability: 27.691×10^-24cm³; (17)Surface Tension: 79.60 dyne/cm; (18)Density: 1.548 g/cm³; (19)Flash Point: 225.257 °C; (20)Enthalpy of Vaporization: 89.452 kJ/mol; (21)Boiling Point: 575.932 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Uses of Baicalein: it is used to produce other chemicals. For example, it can react with formaldehyde to get bis(5,6,7-trihydroxyflavon-8-yl)methane. This reaction needs solvents H₂O and ethanol at temperature of 90 °C. The reaction time is 8 hours. The yield is 85 %.

Baicalein can react with formaldehyde to get bis(5,6,7-trihydroxyflavon-8-yl)methane.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system. It may cause damage to health by inhalation, in contacting with skin and if swallowed. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1c3c(O)c(O)c(O)cc3O/C(=C/1)c2ccccc2
(2) InChI: InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
(3) InChIKey: FXNFHKRTJBSTCS-UHFFFAOYSA-N