CAS No.484-12-8,Osthole Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	484-12-8
Name:	Osthole
Article Data:	11

Formula:	C₁₅H₁₆O₃
Molecular Weight:	244.29
Synonyms:	8-(3-Methyl-2-butenyl)herniarin;2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-;7-Methoxy-8-isopentenylcoumarin;7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one;Coumarin, 7-methoxy-8- (3-methyl-2-butenyl)-;2H-1-Benzopyran-2-one,7-methoxy-8-(3- methyl-2-butenyl)-;Ostol;Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-;Cnidium monnieri P.E.- Osthole;Common Cnidium Fruit P. E.;Fructus Cnidii;
EINECS:	1532714-185-1
Density:	1.126 g/cm³
Melting Point:	83-84 °C
Boiling Point:	396.7 °C at 760 mmHg
Flash Point:	167.6 °C
Solubility:	12mg/L(25 oC)
Appearance:	Fine White Powder
Hazard Symbols:	Xi,Xn
Risk Codes:	R36/37/38; R20/21/22
PSA:	39.44000
LogP:	3.31030

Synthetic route

: 65763-01-1
7-methoxy-8-iodo-2H-chromen-2-one

: 870-63-3
prenyl bromide

: 484-12-8
osthole

Conditions

Conditions	Yield
Stage #1: 7-methoxy-8-iodo-2H-chromen-2-one With isopropylmagnesium chloride In tetrahydrofuran at -20℃; for 1h; Schlenk technique; Inert atmosphere; Green chemistry; Stage #2: prenyl bromide With copper(l) iodide; lithium chloride In tetrahydrofuran at -20 - 20℃; for 10.5h; Reagent/catalyst; Schlenk technique; Inert atmosphere; Green chemistry;	80%

: 55136-74-8
8-allyl-7-methoxy-2H-chromen-2-one

: 2190-48-9
3-chloro-3-methyl-1-butene

: 484-12-8
osthole

Conditions

Conditions	Yield
With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In dichloromethane at 45℃; for 2h; Inert atmosphere;	77.65%

: 4-methoxy-2-((2-methylbut-3-en-2-yl)oxy)benzaldehyde

: 1099-45-2
ethyl (triphenylphosphoranylidene)acetate

: 484-12-8
osthole

Conditions

Conditions	Yield
With N,N-diethylaniline at 250℃; for 1h; Microwave irradiation; Sealed tube;	68%

: 65763-01-1
7-methoxy-8-iodo-2H-chromen-2-one

: 104108-29-4
prenyl tributylstannane

: 484-12-8
osthole

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); triphenylphosphine; lithium chloride In N,N-dimethyl-formamide at 80℃; for 6h; Stille Cross Coupling; Inert atmosphere; Schlenk technique;	66.1%

: 104108-29-4
prenyl tributylstannane

: 8-bromo-7-methoxy-2H-chromen-2-one

: 484-12-8
osthole

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In N,N-dimethyl-formamide at 125℃; for 5h; Stille Cross Coupling; Schlenk technique; Inert atmosphere;	32%

: 37761-53-8
2-hydroxy-4-methoxy-3-(3-methyl-2-butenyl)benzaldehyde

: 108-24-7
acetic anhydride

: 484-12-8
osthole

Conditions

Conditions	Yield
With sodium acetate at 160℃;

: 186581-53-3, 908094-01-9
diazomethane

osthenol: osthenol

: 484-12-8
osthole

Conditions

Conditions	Yield
With diethyl ether

: 673-22-3
2-Hydroxy-4-methoxybenzaldehyde

: 484-12-8
osthole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium; benzene / anschliessend mit 4-Brom-2-methyl-buten-(2) 2: sodium acetate / 160 °C View Scheme
Multi-step reaction with 4 steps 1.1: aluminum (III) chloride / dichloromethane / 0.25 h / -20 °C 1.2: -20 - 20 °C 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1.5 h / Reflux 2.2: 12 h / 0 °C 3.1: dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; copper(II) acetate monohydrate / acetonitrile / 16 h / 85 °C 4.1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide / 5 h / 125 °C / Schlenk technique; Inert atmosphere View Scheme

Yield

Multi-step reaction with 2 steps
1: sodium; benzene / anschliessend mit 4-Brom-2-methyl-buten-(2)
2: sodium acetate / 160 °C
View Scheme

Multi-step reaction with 4 steps
1.1: aluminum (III) chloride / dichloromethane / 0.25 h / -20 °C
1.2: -20 - 20 °C
2.1: sodium hydride / tetrahydrofuran; mineral oil / 1.5 h / Reflux
2.2: 12 h / 0 °C
3.1: dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; copper(II) acetate monohydrate / acetonitrile / 16 h / 85 °C
4.1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide / 5 h / 125 °C / Schlenk technique; Inert atmosphere
View Scheme

: 93-35-6
7-hydroxy-2H-chromen-2-one

: 484-12-8
osthole

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: potassium carbonate; potassium iodide / acetone / 22 h / 60 °C 2: ethylene glycol / 6 h / Reflux 3: potassium carbonate; potassium iodide / acetone / 5 h / 20 °C 4: tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride / dichloromethane / 2 h / 45 °C / Inert atmosphere View Scheme
Multi-step reaction with 3 steps 1.1: iodine; potassium iodide; ammonium hydroxide / water / 24.5 h 2.1: potassium carbonate / acetone / 5 h / Reflux 3.1: isopropylmagnesium chloride / tetrahydrofuran / 1 h / -20 °C / Schlenk technique; Inert atmosphere; Green chemistry 3.2: 10.5 h / -20 - 20 °C / Schlenk technique; Inert atmosphere; Green chemistry View Scheme

: 55136-72-6
7-hydroxy-8-allylcoumarin

: 484-12-8
osthole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate; potassium iodide / acetone / 5 h / 20 °C 2: tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride / dichloromethane / 2 h / 45 °C / Inert atmosphere View Scheme

Raw Materials

93-35-6

108-24-7

603-35-0

Downstream Products

2221-66-1

109741-38-0

51559-35-4

Total:220 Page 1 of 6 1 2 3 4 5 6 Next>>

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Chemistry

IUPAC Name: 7-Methoxy-8-(3-methylbut-2-enyl)chromen-2-one
Following is the structure of Osthole (CAS NO.484-12-8):

Empirical Formula: C₁₅H₁₆O₃
Molecular Weight: 244.2857 g/mol
Index of Refraction: 1.556
Molar Refractivity: 69.79 cm³
Molar Volume: 216.8 cm³
Density: 1.126 g/cm³
Flash Point: 167.6 °C
Melting point: 83-84 °C
Surface Tension: 40.3 dyne/cm
Enthalpy of Vaporization: 64.71 kJ/mol
Boiling Point: 396.7 °C at 760 mmHg
Vapour Pressure of Osthole (CAS NO.484-12-8): 1.67E-06 mmHg at 25 °C
Product Categories of Osthole (CAS NO.484-12-8): Standard extract; Natural Plant Extract; Steroids
Water Solubility of Osthole (CAS NO.484-12-8): 12 mg/L at 30 °C
Canonical SMILES: CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C
InChI: InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
InChIKey: MBRLOUHOWLUMFF-UHFFFAOYSA-N

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD	intravenous	> 40mg/kg (40mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 150, Pg. 425, 1964.
guinea pig	LD	oral	> 1gm/kg (1000mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 150, Pg. 425, 1964.
mouse	LD50	intraperitoneal	190mg/kg (190mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Indian Journal of Medical Research. Vol. 55, Pg. 241, 1967.
mouse	LD50	subcutaneous	16mg/kg (16mg/kg)		Pharmaceutical Chemistry Journal Vol. 11, Pg. 331, 1977.
rabbit	LD	subcutaneous	> 70mg/kg (70mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 138, Pg. 400, 1962.
rabbit	LDLo	intravenous	25mg/kg (25mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 138, Pg. 400, 1962.
rat	LD50	intraperitoneal	600mg/kg (600mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Indian Journal of Medical Research. Vol. 55, Pg. 241, 1967.
rat	LD50	oral	2905mg/kg (2905mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Indian Journal of Medical Research. Vol. 55, Pg. 241, 1967.

Specification

Osthole , its cas register number is 484-12-8. It also can be called 7-Methoxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one ; 7-Methoxy-8-(3-methyl-2-butenyl)-coumarin ; 7-Methoxy-8-isopentenylcoumarin ; and 8-(3-Methyl-2-butenyl)herniarin . Adjuvants, immunologic; Calcium channel blockers; Cardiovascular Agents; Drug / Therapeutic Agent; Immunologic Factors and Membrane Transport Modulators.