223251-16-9

Basic information

• Product Name: (4-(2-(azepan-1-yl)ethoxy)phenyl)Methanol
• Synonyms: (4-(2-(azepan-1-yl)ethoxy)phenyl)Methanol;BenzeneMethanol, 4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]-;4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]- benzeneMethanol;4-(2-Azepan-1-ylethoxy)benzyl alcohol
• CAS NO: 223251-16-9
• Molecular Formula: C₁₅H₂₃NO₂
• Molecular Weight: 249.34862
• EINECS: 1592732-453-0
• Mol File: 223251-16-9.mol

Chemical Properties

• Boiling Point: 403.995°C at 760 mmHg
• Flash Point: 198.129°C
• Appearance: /
• Density: 1.061g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.536
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 14.52±0.10(Predicted)
• CAS DataBase Reference: (4-(2-(azepan-1-yl)ethoxy)phenyl)Methanol(CAS DataBase Reference)
• NIST Chemistry Reference: (4-(2-(azepan-1-yl)ethoxy)phenyl)Methanol(223251-16-9)
• EPA Substance Registry System: (4-(2-(azepan-1-yl)ethoxy)phenyl)Methanol(223251-16-9)

Safety Data

• Hazardous Substances Data: 223251-16-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research and Development:
(4-(2-(azepan-1-yl)ethoxy)phenyl)Methanol is used as a chemical intermediate for the synthesis of new drugs, leveraging its unique structure to explore its potential therapeutic effects on various medical conditions.
Used in Drug Design and Synthesis:
In the pharmaceutical industry, (4-(2-(azepan-1-yl)ethoxy)phenyl)Methanol is used as a building block in the design and synthesis of innovative drug molecules, aiming to enhance their efficacy, selectivity, and safety profiles.
Used in Medicinal Chemistry:
(4-(2-(azepan-1-yl)ethoxy)phenyl)Methanol is employed as a key component in medicinal chemistry, facilitating the development of new chemical entities with improved pharmacological properties and therapeutic potential.
Used in Drug Discovery:
In the field of drug discovery, (4-(2-(azepan-1-yl)ethoxy)phenyl)Methanol is utilized as a starting material or a scaffold for the identification and optimization of new drug candidates, targeting specific biological pathways and molecular targets implicated in various diseases.
Used in Preclinical Studies:
(4-(2-(azepan-1-yl)ethoxy)phenyl)Methanol is used in preclinical studies to evaluate its pharmacological activity, safety, and potential side effects, providing valuable insights into its suitability as a drug candidate for further development.
Note: The specific applications and reasons mentioned above are hypothetical and based on the general use of similar chemical compounds in the pharmaceutical industry. Further research and testing are required to determine the actual applications and benefits of (4-(2-(azepan-1-yl)ethoxy)phenyl)Methanol.

InChI:InChI=1/C15H23NO2/c17-13-14-5-7-15(8-6-14)18-12-11-16-9-3-1-2-4-10-16/h5-8,17H,1-4,9-13H2

Upstream product

• 623-05-2 (4-hydroxyphenyl)methanol 
• 26487-67-2 1-(2-chloroethyl)azepane hydrochloride 
• 767630-86-4 4-(2-oxo-2-hexamethyleneimino-ethoxy)-benzaldehyde 
• 223251-09-0 4-[2-(azepan-1-yl)ethoxy]benzaldehyde 
• 52191-15-8 4-(2-bromoethyloxy)benzaldehyde 
• 123-08-0 4-hydroxy-benzaldehyde 
• 111-49-9 hexamethylene imine 
• 38459-72-2 (4-(2-bromoethoxy)phenyl)methan-1-ol 
• 2205-31-4 1-(2-chloroethyl)-1H-hexahydroazepine 

Downstream Products

• 212771-30-7 1-[2-(4-chloromethylphenoxy)ethyl]perhydroazepin 
• 859392-93-1 10-[4-(2-azepan-1-yl-ethoxy)-benzyl]-7-methoxy-10H-benzo[4,5]thieno[3,2-b]indole 
• 859392-95-3 10-[4-(2-azepan-1-yl-ethoxy)-benzyl]-3,7-dimethoxy-10H-benzo[4,5]thieno[3,2-b]indole 
• 328933-65-9 (4-(2-(azepan-1-yl)ethyl)phenyl)methanol hydrochloride 
• 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 
• 198481-33-3 bazedoxifene acetate 
• 223251-25-0 1-{2-[4-(chloromethyl)phenoxy]ethyl}hexahydro-1H-azepine hydrochloride 
• 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 
• 1335047-86-3 1-[4-[2-(azepan-1-yl)ethoxy]benzyl]naphthalen-2-ol 

Relevant articles and documents

Compound and preparation method and application thereof

The invention relates to the field of medicinal chemistry and pharmacotherapeutics, in particular to a bazedoxifene analog compound and a preparation method thereof, application of the bazedoxifene analog compound in a GP130 small molecule inhibitor and t

An inhibitor acetic acid is an important intermediate for [...] simple synthesis process

The invention discloses an inhibitor acetic acid is an important intermediate for [...] simple synthesis process, taking N - (2 - chloro ethyl) azepane, P-hydroxybenzaldehyde, potassium carbonate, ethanol are added to a reaction flask, stirring and heatin

Preparation method of 1-(2-(4-(chloromethyl)phenoxy)ethyl)azacycloheptane hydrochloride

A preparation method of 1-(2-(4-(chloromethyl)phenoxy)ethyl)azacycloheptane hydrochloride comprises the steps of alkylation, substitution, reduction and chlorination. The preparation method for industrially producing the1-(2-(4-(chloromethyl)phenoxy)ethyl)azacycloheptane hydrochloride allows the final product to be produced from cycloheximide as raw material through alkylation, substitution, reduction and chlorination, the total yield of the four steps reaches about 70%, and the purity is 99%. The method also has the advantages of easiness in obtaining of the reaction raw material, mild conditions, simplicity in treatment, and high yield, and is a method suitable for industrial production.

General and efficient synthesis of indoles through triazene-directed c-h annulation

Unprotected indoles are prepared with the title method, which has a wide scope for alkynes. Excellent regioselectivity was accomplished for aryl-alkyl and alkyl-alkyl disubstituted acetylenes. This reaction features an unusual 1,2 rhodium migration and ring-contraction-triggered N-N bond cleavage. It allows rapid conversion of the reaction products into several functional molecules. Copyright

SELECTIVE ESTROGEN RECEPTOR MODULATORS

The invention provides compounds of Formula (I) : wherein R1 is hydrogen, OH, halo, -CN, -NO2, -N=0, -NHOQ2, -OQ2, -SOQ2, -SO2Q2, -SON(Q2)2, - SO2N(Q2)2, -N(Q2)2, -C(O)OQ2, -C(O)Q2, -C(O)N(Q2)2, -C(=NQ2)NQ2, -NQ2C(=NQ2)NQ2, - C(O)N(Q2)(OQ2), -N(Q2)C(O)-Q2, -N(Q2)C(O)N(Q2)2, -N(Q2)C(O)O-Q2, -N(Q2)SO2Q2, -N(Q2)SOQ2, aliphatic, alkoxy, cycloaliphatic, aryl, arylalkyl, heterocyclic, or heteroaryl ring, each aliphatic, alkoxy, cycloaliphatic, aryl, arylalkyl, heterocyclic, and heteroaryl ring optionally including 1-3 substituents independently selected Q3; R2 and R3 are each independently hydrogen, OH, oxo, aliphatic, cycloaliphatic, heterocycloaliphatic, aryl, or heteroaryl, optionally substituted with 1-3 of Q1 or Q2; X is a branched or straight C1-12 aliphatic chain wherein up to two carbon units are optionally and independently replaced by -C(Q1)2-, -C(Q2)2-, CHQ1, CHQ2-, -CO-, -CS-, -CONQ2, -CO2-, -OCO-, -NQ2-, -NQ2CO2-, - O-, -NQ2CONQ2-, -OCONQ2-, -NQ2CO-, -S-, -SO-, -SO2-, -SO2NQ2-, -NQ2SO2-, or -NQ2SO2NQ2-; G and G1 are each independently a branched or straight C1-2 aliphatic chain, or heterocycloalkyl, wherein up to two carbon units are optionally and independently replaced by -C(Q1)2-, -C(Q2)2-, CHQ1, CHQ2-, -CO-, - CS-, -CONQ2, -CO2-, -OCO-, -NQ2-, -NQ2CO2-, -O-, -NQ2CONQ2-, -OCONQ2-, -NQ2CO-, -S-, -SO-, - SO2-, -SO2NQ2-, -NQ2SO2-, or -NQ2SO2NQ2-, and pharmaceutically acceptable salts, solvates or prodaigs thereof, as well as methods of treating estrogen receptor mediated diseases and disorders using the compounds of Formula (I).

Design, synthesis and bioevaluation of novel candidate selective estrogen receptor modulators

In an systematic attempt to develop novel Selective Estrogen Receptor Modulators (SERMs), chiral 1-((4-(2-(dialkylamino)ethoxy)phenyl)(2- hydroxynaphthalen-1-yl)methyl)piperidin-4-ols were designed based on an accepted pharmacophore model. Simpler prototypes, viz. racemic 1-((2-hydroxynaphthalen- 1-yl)arylmethyl)piperidin-4-ols, were first synthesized to develop kinetic resolution to pure enantiomers. Simultaneously, a series of racemic 1-((4-(2-(dialkylamino)ethoxy)phenyl)(2-hydroxynaphthalen-1-yl)methyl) piperidin-4-ols were evaluated against estrogen-responsive human MCF-7 breast cancer cells, but the compounds were found to be moderately active. The lack of potency could be due to the molecular bulk resulting in inadequate fit at the receptor. Subsequently, the molecular motif was modified to achiral 1-(4-(2-(dialkylamino)ethoxy)benzyl)naphthalen-2-ols by removing the piperidinol moiety. Bioevaluation of this new series of compounds displayed significantly enhanced cytotoxicity against MCF-7 cells. A representative compound for this series showed estrogen receptor alpha binding activity and the action is that of an antagonist.

PREPARATION OF BAZEDOXIFENE AND ITS SALTS

Processes for preparing bazedoxifene and its pharmaceutically acceptable salts, substantially free from process related impurities and process intermediates.

Processes for the preparation of aminoethoxybenzyl alcohols

The present invention provides processes and intermediates for the preparation of aminoethoxybenzyl alcohols of Formula I useful in the production of pharmaceutically useful compounds.

GLUCOPYRANOSIDES CONJUGATES OF 2-(4-HYDROXY-PHENYL)-1- 4-(2-AMIN-1-YL-ETHOXY)-BENZYL]-1H-INDOL-5-OLS

This invention provides tissue selective estrogens of formula (I) having structure (I) wherein: R1 and R2 are independently, hydrogen, alkyl chain of 1-6 carbon atoms, benzyl, acyl of 2-7 carbon atoms, benzoyl, (1) or (2); X is hydrogen, alkyl of 1-6 carbon atoms, CN, halogen, trifuoromethyl, or thioalkyl of 1-6 carbon atoms; n = 1-3; with the proviso that at least one of R1 or R2 is (1) or (2); or a pharmaceutically acceptable salt thereof.

SELECTIVE ESTROGEN RECEPTOR MODULATORS

The present invention provides a compound represented by the following formula (I); [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; Ra and Rb are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R' represents 1 to 4 independent hydrogen atoms and the like; and R" represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof.