Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Bazedoxifene

Related Products

Hot Products

Name

Bazedoxifene

EINECS 805-732-1
CAS No. 198481-32-2 Density 1.19 g/cm3
PSA 57.86000 LogP 6.26890
Solubility N/A Melting Point 98-102°
Formula C30H34N2O3 Boiling Point 694.4 °C at 760 mmHg
Molecular Weight 470.612 Flash Point 373.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 198481-32-2 (1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol) Hazard Symbols N/A
Synonyms

TSE-424;Bazedoxifene [INN];Bazedoxifeno;1-((4-(2-Hexahydro-1H-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol;1H-Indol-5-ol, 1-((4-(2-(hexahydro-1H-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-;Bazedoxifeno [INN-Spanish];1-[[4-[2-(Azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol;

Article Data 34

Bazedoxifene Synthetic route

198480-21-6

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1-[4-(2-azepan-1-yl-ethoxy)-benzyl]-1H-indole

198481-32-2

bazedoxifene

Conditions
ConditionsYield
With palladium on activated charcoal; hydrogen; sodium hydroxide In ethanol; ethyl acetate Solvent; Reagent/catalyst;100%
With hydrogen; 2.34% Pd/C In tetrahydrofuran; ethanol for 5h;99%
With hydrogen; palladium 10% on activated carbon In methanol; water; acetone at 40℃; under 7355.72 Torr; Product distribution / selectivity;99.72%

1-[4-(2-Azepan-1-yl-ethoxy)-benzyl]-5-methoxy-2-(4-methoxy-phenyl)-3-methyl-1H-indole

198481-32-2

bazedoxifene

Conditions
ConditionsYield
With trimethylsilyl iodide In chloroform at 20℃; for 5h;95%
With hydrogen iodide36.3 g
223251-25-0

1-{2-[4-(chloromethyl)phenoxy]ethyl}hexahydro-1H-azepine hydrochloride

91444-55-2

4-(5-acetoxy-3-methyl-1H-indol-2-yl)phenyl acetate

198481-32-2

bazedoxifene

Conditions
ConditionsYield
Stage #1: 4-(5-acetoxy-3-methyl-1H-indol-2-yl)phenyl acetate With sodium hydride In N,N-dimethyl-formamide at 0 - 5℃; for 2h; Inert atmosphere;
Stage #2: 1-{2-[4-(chloromethyl)phenoxy]ethyl}hexahydro-1H-azepine hydrochloride In N,N-dimethyl-formamide at 0 - 25℃; for 15h;
Stage #3: With sodium hydroxide In N,N-dimethyl-formamide at 25℃; for 15h; Solvent; Temperature; Reagent/catalyst;
89%

1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-5-(tert-butoxy)-2-(4-(tert-butoxy)phenyl)-3-methyl-1H-indole

198481-32-2

bazedoxifene

Conditions
ConditionsYield
With hydrogen bromide; acetic acid at 20℃; for 0.5h;87%

1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-(benzoyloxy)phenyl)-3-methyl-1H-indol-5-yl benzoate

198481-32-2

bazedoxifene

Conditions
ConditionsYield
With triethylamine In methanol; water for 5h; Reflux;86%

1-[4-(2-azepan-1-yl-ethoxy)benzyl]-5-benzyloxy-2-(4-benzyloxyphenyl)-3-methyl-1H-indole

198481-32-2

bazedoxifene

Conditions
ConditionsYield
With ammonium formate; 10 wt% Pd(OH)2 on carbon In acetone85%

4-(5-acetoxy-1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-3-methyl-1H-indol-2-yl)phenyl acetate

198481-32-2

bazedoxifene

Conditions
ConditionsYield
With ammonia In methanol; water at 20℃; for 3h;85%

1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-3-methyl-2-(4-(pivaloyloxy)phenyl)-1Hindol-5-yl pivalate

198481-32-2

bazedoxifene

Conditions
ConditionsYield
With methanol; potassium carbonate at 45℃; for 3h;83%
1251936-45-4

1-(2-{4-[5-Hydroxy-2-(4-hydroxy-phenyl)-3-methyl-indol-1-ylmethyl]-phenoxy}-ethyl)-azepane-2,7-dione

198481-32-2

bazedoxifene

Conditions
ConditionsYield
With sodium tetrahydroborate; boron trifluoride diethyl etherate In tetrahydrofuran at 5 - 10℃; for 4h;80.7%
111-49-9

hexamethylene imine

1343413-19-3

2-(4-((5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)methyl)phenoxy)ethyl 4-methylbenzenesulfonate

198481-32-2

bazedoxifene

Conditions
ConditionsYield
In toluene at 70 - 75℃; for 12h;80%

Bazedoxifene Specification

The Bazedoxifene, with the CAS registry number 198481-32-2, is also known as 1-{4-[2-(Azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol. This chemical's molecular formula is C30H34N2O3 and molecular weight is 470.60. What's more, its IUPAC name is 1-[[4-[2-(Azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol. In addition, this chemical's classification code are Antiestrogen; Estrogen Receptor Modulator. Besides, it can be used as a kind of potential drugs in the prevention and treatment of postmenopausal osteoporosis. And Bazedoxifene's combination with conjugated estrogens, Aprela, is currently undergoing Phase III studies.

Physical properties about Bazedoxifene are: (1)ACD/LogP: 6.44; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 35.86 Å2; (7)Index of Refraction: 1.622; (8)Molar Refractivity: 138.88 cm3; (9)Molar Volume: 394.1 cm3; (10)Polarizability: 55.05×10-24 cm3; (11)Surface Tension: 46.5 dyne/cm; (12)Density: 1.19 g/cm3; (13)Flash Point: 373.8 °C; (14)Enthalpy of Vaporization: 105.37 kJ/mol; (15)Boiling Point: 694.4 °C at 760 mmHg; (16)Vapour Pressure: 6.33E-20 mmHg at 25 °C.

Preparation of Bazedoxifene: this chemical is prepared by the following synthetic steps

Preparation of Bazedoxifene

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1)c3c(c2cc(O)ccc2n3Cc5ccc(OCCN4CCCCCC4)cc5)C
(2) InChI: InChI=1/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3
(3) InChIKey: UCJGJABZCDBEDK-UHFFFAOYAW

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 198481-32-2