198480-21-6

Basic information

• Product Name: 1-[4-(2-AZEPAN-1-YL-ETHOXY)-BENZYL]-5-BENZYLOXY-2-(4-BENZYLOXY-PHENYL)-3-METHYL-1H-INDOLE
• Synonyms: 1-[4-(2-AZEPAN-1-YL-ETHOXY)-BENZYL]-5-BENZYLOXY-2-(4-BENZYLOXY-PHENYL)-3-METHYL-1H-INDOLE;5-Benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1-[4-(2-azepan-1-yl-ethoxy)-benzyl]-1H-indole;Bazedoxifene impurity 7;1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole
• CAS NO: 198480-21-6
• Molecular Formula: C₄₄H₄₆N₂O₃
• Molecular Weight: 650.84764
• EINECS: 1308068-626-2
• Product Categories: Intermediates
• Mol File: 198480-21-6.mol
• Article Data: 23

Chemical Properties

• Boiling Point: 810.3±65.0 °C(Predicted)
• Appearance: /
• Density: 1.12±0.1 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 8.85±0.20(Predicted)
• CAS DataBase Reference: 1-[4-(2-AZEPAN-1-YL-ETHOXY)-BENZYL]-5-BENZYLOXY-2-(4-BENZYLOXY-PHENYL)-3-METHYL-1H-INDOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[4-(2-AZEPAN-1-YL-ETHOXY)-BENZYL]-5-BENZYLOXY-2-(4-BENZYLOXY-PHENYL)-3-METHYL-1H-INDOLE(198480-21-6)
• EPA Substance Registry System: 1-[4-(2-AZEPAN-1-YL-ETHOXY)-BENZYL]-5-BENZYLOXY-2-(4-BENZYLOXY-PHENYL)-3-METHYL-1H-INDOLE(198480-21-6)

Safety Data

• Hazardous Substances Data: 198480-21-6(Hazardous Substances Data)

Usage

General Description

The chemical "1-[4-(2-azepan-1-yl-ethoxy)-benzyl]-5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole" is a complex organic compound with a unique molecular structure. It consists of an indole core with various substituted benzene rings and an azepane moiety. The molecule contains multiple benzyl and benzyloxy groups, as well as a methyl substituent. This chemical likely has significant pharmacological or biological activity due to its complex structure, which may make it of interest for potential therapeutic applications or as a research tool in organic chemistry or drug discovery.

Upstream product

• 223251-25-0 1-{2-[4-(chloromethyl)phenoxy]ethyl}hexahydro-1H-azepine hydrochloride 
• 198479-63-9 5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole 
• 6373-46-2 p-benzyloxyaniline 
• 54373-15-8 4-(2-chloroethoxy)benzaldehyde 
• 111-49-9 hexamethylene imine 
• 198480-07-8 5-benzyloxy-2-(4-benzyloxy-phenyl)-1-[4-(2-bromo-ethoxy)-benzyl]-3-methyl-1H-indole 
• 100-44-7 benzyl chloride 
• 767630-86-4 4-(2-oxo-2-hexamethyleneimino-ethoxy)-benzaldehyde 
• 52227-33-5 2,3,4,5,6,7-hexahydro-1-(2-chloro-ethanoyl]-1H-azepine 
• 123-08-0 4-hydroxy-benzaldehyde 
• 1343413-18-2 5-benzyloxy-2-(4-benzyloxyphenyl)-3-methyl-1-[4-(2-azepan-1-ylethoxy)benzyl]-1H-indole hydrochloride 
• 1343413-04-6 2-(4-bromomethylphenoxy)ethyl 4-methylbenzenesulfonate 
• 1343413-00-2 2-(4-(hydroxymethyl)phenoxy)ethyl 4-methylbenzenesulfonate 
• 327077-87-2 2-(4-formylphenoxy)ethyl 4-methylbenzenesulfonate 

Downstream Products

• 198481-33-3 bazedoxifene acetate 
• 1266685-11-3 1-[4-(2-azepan-1-yl-ethoxy)benzyl]-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol mesylate 
• 1266685-12-4 1-[4-(2-azepan-1-yl-ethoxy)benzyl]-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol propionate 
• 1343413-18-2 5-benzyloxy-2-(4-benzyloxyphenyl)-3-methyl-1-[4-(2-azepan-1-ylethoxy)benzyl]-1H-indole hydrochloride 
• 198481-33-3 bazedoxifene acetate 
• 198481-32-2 bazedoxifene 

Relevant articles and documents

PROCESS FOR THE PREPARATION OF BAZEDOXIFENE

The invention relates to a process for preparation of the compound 3-methyl-5-benzyloxy-2-(4-benzyloxyphenyl)-1H-indole 5, an intermediate for the synthesis of bazedoxifene and bazedoxifene acetate.

Industrial production method for bazedoxifene acetate

The invention discloses an industrial production method for bazedoxifene acetate. The production method comprises the following steps: taking p-hydroxy benzaldehyde as a starting material, substituting with chloracetyl-hexamethyleneimine, reducing with borohydride and chlorinating with a chlorinating agent to obtain a compound 4; reacting the compound 4 with 5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole to obtain a compound 5; and carrying out debenzylation to obtain a compound 6, and salifying with acetic acid to obtain a target compound which is the bazedoxifene acetate. The defective workmanship of preparation in the prior art is solved, the used reagent is low in cost and easy to obtain, environmental pollution is small, safety is high, an operation process is simple, and thus, the bazedoxifene acetate is suitable for being produced industrially.

PROCESSES AND INTERMEDIATES FOR PREPARING INDOLE PHARMACEUTICALS

The invention described herein pertains to processes and intermediates for preparing indole containing pharmaceuticals, particularly to processes and intermediates for preparing selective estrogen receptor modulators, such as bazedoxifene.