Baicalin supplier | CasNO.21967-41-9

Name
Baicalin
EINECS 606-866-1
CAS No. 21967-41-9
Article Data4
CAS DataBase
Density 1.737 g/cm³
Solubility
Melting Point 231-233 °C(lit.)
Formula C₂₁H₁₈O₁₁
Boiling Point 836.6 °C at 760 mmHg
Molecular Weight 446.367
Flash Point 297.2 °C
Transport Information
Appearance Yellow powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid;5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid;Baicalein 7-O-glucuronide;7-D-glucuronic acid-5,6-dihydroxyflavone;TJN-151;baicalin, Baical Skullcap Root extract;
PSA 187.12000
LogP 0.14220

Synthetic route

: 74304-67-9
5,6-Diacetoxy-7-hydroxyflavon-7-O-(2,3,4-tri-O-acetyl-β-D-glucopyranosiduronsaeure-methylester)

: 21967-41-9
baicalin

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

: 2616-64-0
UDP-glucuronic acid

: 21967-41-9
baicalin

Conditions

Conditions	Yield
With Tris-HCl buffer; UDP-glucuronate: baicalein 7-O-glucuronosyltransferase In water at 37℃; pH=7.5; Enzyme kinetics; Esterification; Enzymatic reaction;

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

: 21967-41-9
baicalin

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 68 percent / K2CO3, KI / acetone / 4 h / Heating 2: 60 percent / H2 / Pd/C / acetone 3: 41 percent View Scheme

: 57820-69-6
(3R,4S,5S,6S)-2-bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

: 21967-41-9
baicalin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 41 percent View Scheme

: 67047-07-8
5,6-diacetoxy-7-hydroxyflavone

: 21967-41-9
baicalin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 41 percent View Scheme

: 67047-06-7
7-(benzyloxy)-4-oxo-2-phenyl-4H-1-benzopyran-5,6-diyl diacetate

: 21967-41-9
baicalin

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 60 percent / H2 / Pd/C / acetone 2: 41 percent View Scheme

: 1178862-93-5
C21H18O11*C42H70O35

A: 21967-41-9
baicalin

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
In water at 20℃; Equilibrium constant;

: 13165-72-5
chlorosulfite de methyle

: 21967-41-9
baicalin

: 82475-03-4
Baicalin methyl ester

Conditions

Conditions	Yield
In methanol at 20℃; for 8.5h; Inert atmosphere;	96.1%
at 25℃; for 10h; Time;

: 557-34-6
zinc diacetate

: 7732-18-5
water

: 127-09-3
sodium acetate

: 64-19-7
acetic acid

: 21967-41-9
baicalin

: C25H26O17Zn(2-)*Na(1+)

Conditions

Conditions	Yield
at 63℃; for 0.95h; pH=5.8; Temperature; pH-value;	96.06%

...Expand

: 7446-70-0, 7784-13-6
aluminum (III) chloride

: 21967-41-9
baicalin

: C42H34AlO22

Conditions

Conditions	Yield
In aq. acetate buffer at 63℃; for 0.95h; pH=5.8; pH-value; Temperature;	95.87%

: 67-56-1
methanol

: 21967-41-9
baicalin

: 82475-03-4
Baicalin methyl ester

Conditions

Conditions	Yield
With sulfuric acid for 1h; Heating;	95%
With sulfuric acid In tetrahydrofuran at 80℃; for 6h;	95%
With sulfuric acid In tetrahydrofuran; methanol at 80℃; for 6h;	95%

: aluminum(III) sulfate

: 21967-41-9
baicalin

: C42H34AlO22

Conditions

Conditions	Yield
In aq. acetate buffer at 65℃; for 1.33333h; pH=6; pH-value; Temperature;	94.82%

: 139-12-8
aluminum acetate

: 21967-41-9
baicalin

: C42H34AlO22

Conditions

Conditions	Yield
In aq. acetate buffer at 50℃; for 1h; pH=5; pH-value; Temperature;	94.38%

: 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%

methoxypolyethylene glycol ethylamine: methoxypolyethylene glycol ethylamine

: 21967-41-9
baicalin

conjugate of methoxy-polyethylene glycol and baicalin: conjugate of methoxy-polyethylene glycol and baicalin

Conditions

Conditions	Yield
With dmap; benzotriazol-1-ol; dicyclohexyl-carbodiimide In dichloromethane at 20℃;	92%

: 21967-41-9
baicalin

: 71-36-3
butan-1-ol

: baicalin butyl ester

Conditions

Conditions	Yield
With thionyl chloride at 0 - 40℃; for 14h;	77%
With Novozym 435 (Candida antarctica lipase B immobilized on a hydrophobic carrier acrylic resin) In pyridine; cyclohexane at 50℃; for 120h; Molecular sieve; Enzymatic reaction;

: 64-17-5
ethanol

: 21967-41-9
baicalin

: baicalein 7-O-β-D-ethylglucuronide

Conditions

Conditions	Yield
With thionyl chloride at 0 - 20℃; for 14h;	76%
With sulfuric acid Reflux; Inert atmosphere;
With Novozym 435 (Candida antarctica lipase B immobilized on a hydrophobic carrier acrylic resin) In pyridine; cyclohexane at 50℃; for 120h; Molecular sieve; Enzymatic reaction;

: 71-23-8
propan-1-ol

: 21967-41-9
baicalin

: baicalin propyl ester

Conditions

Conditions	Yield
With thionyl chloride at 0 - 20℃; for 14h;	71%
With Novozym 435 (Candida antarctica lipase B immobilized on a hydrophobic carrier acrylic resin) In pyridine; cyclohexane at 50℃; for 120h; Molecular sieve; Enzymatic reaction;

: 111-70-6
n-heptan1ol

: 21967-41-9
baicalin

: baicalin heptyl ester

Conditions

Conditions	Yield
With thionyl chloride at 0 - 60℃; for 14h;	65%

: 21967-41-9
baicalin

: C21H14(2)H4O11

Conditions

Conditions	Yield
Stage #1: baicalin With [D]-sodium hydroxide; platinum on activated charcoal; water-d2 at 130℃; for 12h; Inert atmosphere; Stage #2: With formic acid at 130℃; for 1h; Inert atmosphere;	65%

: 21967-41-9
baicalin

: 480-11-5
oroxylin A

Conditions

Conditions	Yield
Stage #1: baicalin With potassium carbonate; dimethyl sulfate at 20℃; for 24h; Stage #2: With hydrogenchloride In ethanol	56%
Stage #1: baicalin With potassium carbonate; dimethyl sulfate at 20℃; Stage #2: With hydrogenchloride In ethanol at 80℃; for 10h;	56%
Multi-step reaction with 6 steps 1: water; sulfuric acid / 0.67 h / 121 °C 2: sodium acetate / 0.67 h / 40 °C 3: N-ethyl-N,N-diisopropylamine / dichloromethane / 20 °C 4: water; sodium hydroxide; sodium dithionite / methanol / 16 h / 20 °C 5: potassium carbonate / N,N-dimethyl-formamide / 21 h / 20 °C 6: water; hydrogenchloride / N,N-dimethyl-formamide / 0.17 h / 20 °C View Scheme

: 77-78-1
dimethyl sulfate

: 21967-41-9
baicalin

: 480-11-5
oroxylin A

Conditions

Conditions	Yield
Stage #1: dimethyl sulfate; baicalin With potassium carbonate at 20℃; for 24h; Stage #2: With hydrogenchloride In ethanol; water at 80℃;	56%

: 9-O-(4-bromoethane)berberine hydrochloride

: 21967-41-9
baicalin

: C44H40NO15(1+)

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 86℃; for 0.75h;	53%

: 67-56-1
methanol

: 21967-41-9
baicalin

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

Conditions

Conditions	Yield
Stage #1: methanol; baicalin With sulfuric acid for 2h; Reflux; Inert atmosphere; Stage #2: With sodium tetrahydroborate at 20℃; for 48h; Inert atmosphere;	51%

: 71-41-0
pentan-1-ol

: 21967-41-9
baicalin

: baicalin pentyl ester

Conditions

Conditions	Yield
With thionyl chloride at 0 - 40℃; for 14h;	39%

: 108-24-7
acetic anhydride

: 21967-41-9
baicalin

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

Conditions

Conditions	Yield
With pyridine at 60℃; for 48h; Inert atmosphere;	35.7%

: 21967-41-9
baicalin

: 111-27-3
hexan-1-ol

: baicalin hexyl ester

Conditions

Conditions	Yield
With thionyl chloride at 0 - 40℃; for 14h;	27%
With Novozym 435 (Candida antarctica lipase B immobilized on a hydrophobic carrier acrylic resin) In pyridine; cyclohexane at 50℃; for 120h; Molecular sieve; Enzymatic reaction;

: 98-88-4
benzoyl chloride

: 21967-41-9
baicalin

: O2,O4-dibenzoyl-O1-(5,6-bis-benzoyloxy-4-oxo-2-phenyl-4H-chromen-7-yl)-β-D-glucopyranuronic acid-lactone

Conditions

Conditions	Yield
With pyridine

: 21967-41-9
baicalin

A: O2,O4-diacetyl-O1-(5,6-diacetoxy-4-oxo-2-phenyl-4H-chromen-7-yl)-β-D-glucopyranuronic acid-lactone

B: O2,O3,O4-triacetyl-O1-(5,6-diacetoxy-4-oxo-2-phenyl-4H-chromen-7-yl)-β-D-glucopyranuronic acid

Conditions

Conditions	Yield
With sodium acetate; acetic anhydride

: 21967-41-9
baicalin

A: 35990-03-5
Baicalein-6-O-β-D-glucopyranosiduronsaeure

B: 126527-77-3
6-O-β-glucopyranuronosyl-baicalein 7-O-sulfate

C: 126553-37-5
baicalein-6-O-β-D-glucopyranuronoside-7-O-β-D-glucopyranuronoside

D: 36948-76-2
oroxyloside

Conditions

Conditions	Yield
by metabolism in rats;	A 5 mg B 15 mg C 60 mg D 4 mg
by metabolism in rats;	A 5 mg B 15 mg C 60 mg D 2 mg

...Expand

: 7726-95-6
bromine

: 64-19-7
acetic acid

: 21967-41-9
baicalin

dibromo derivative C21H16Br2O11: dibromo derivative C21H16Br2O11

...Expand

: 127-09-3
sodium acetate

: 108-24-7
acetic anhydride

: 21967-41-9
baicalin

A O2,O4-diacetyl-O1-<5,6-diacetoxy-4-oxo-2-phenyl-4H-chromen-7-yl>-β-D-glucopyranuronic acid-3-lactone: O2,O4-diacetyl-O1-<5,6-diacetoxy-4-oxo-2-phenyl-4H-chromen-7-yl>-β-D-glucopyranuronic acid-3-lactone

B penta-O-acetyl-baicalin: penta-O-acetyl-baicalin

...Expand

: 77-78-1
dimethyl sulfate

: 21967-41-9
baicalin

: 82475-02-3
5-hydroxy-6-methoxyflavone-7-O-β-D-glucuronide methyl ester

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide; acetone for 3h; Heating;

Baicalin Chemical Properties

The Molecular Structure of Baicalin (CAS NO.21967-41-9):

Empirical Formula: C₂₁H₁₈O₁₁
Molecular Weight: 446.361
Nominal Mass: 446 Da
IUPAC Name: (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Average Mass: 446.361 Da
Monoisotopic Mass: 446.084911 Da
Index of Refraction: 1.739
Molar Refractivity: 103.55 cm³
Molar Volume: 256.8 cm³
Surface Tension: 103.3 dyne/cm
Density: 1.737 g/cm³
Flash Point: 297.2 °C
Enthalpy of Vaporization: 127.43 kJ/mol
Boiling Point: 836.6 °C at 760 mmHg
Vapour Pressure: 1.07E-29 mmHg at 25°C
Melting Point: 202-205°C
Product Categories: Tri-substituted Flavones;Biochemistry;Flavonoids;Glycosides;Sugars;Natural Plant Extract;The group of Scutellaria;Asymmetric Synthesis;Chiral Building Blocks;Complex Molecules
Synonyms: 7-D-Glucuronic acid-5,6-dihydroxyflavone ; beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl

Baicalin Uses

Baicalin (CAS NO.21967-41-9) is a flavonoid that affects the GABA receptors. It is found in scutellaria lateriflora, also known as blue skullcap.

Baicalin Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
WGK Germany: 3
RTECS: LZ5776910

Product Name

Baicalin

Synthetic route

Baicalin Chemical Properties

Baicalin Uses

Baicalin Safety Profile

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