(4-(2-(Dimethylamino)ethoxy)phenyl)(4-hydroxyphenyl)methanone

Base Information

• Chemical Name: (4-(2-(Dimethylamino)ethoxy)phenyl)(4-hydroxyphenyl)methanone
• CAS No.: 173163-13-8
• Molecular Formula: C17H19NO3
• Molecular Weight: 285.343
• European Community (EC) Number: 881-581-5
• Mol file: 173163-13-8.mol

Synonyms:173163-13-8;(4-(2-(Dimethylamino)ethoxy)phenyl)(4-hydroxyphenyl)methanone;[4-[2-(Dimethylamino)ethoxy]phenyl](4-hydroxyphenyl)methanone;[4-[2-(dimethylamino)ethoxy]phenyl]-(4-hydroxyphenyl)methanone;SCHEMBL4729221;VBBSPGVSLKBZRW-UHFFFAOYSA-N;SB82204;E83563

Chemical Property of (4-(2-(Dimethylamino)ethoxy)phenyl)(4-hydroxyphenyl)methanone

Chemical Property:

• Melting Point: 154 - 156°C
• Boiling Point: 456.9±40.0 °C(Predicted)
• PKA: 7.77±0.15(Predicted)
• PSA: 49.77000
• Density: 1.156±0.06 g/cm3(Predicted)
• LogP: 2.56360
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly, Heated), Methanol (Slightly, Heated)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 285.13649347
• Heavy Atom Count: 21
• Complexity: 316

Purity/Quality:

99%, ^*data from raw suppliers

[4-[2-(Dimethylamino)ethoxy]phenyl](4-hydroxyphenyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCOC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O
• Uses: [4-[2-(DiMethylaMino)ethoxy]phenyl](4-hydroxyphenyl)Methanone is used in the synthesis of 1,1,2-triphenylethylenes and Tamoxifen (T006050) and its derivatives , drug constituents with antiproliferative effect on human cancer cell lines.

Technology Process of (4-(2-(Dimethylamino)ethoxy)phenyl)(4-hydroxyphenyl)methanone

There total 3 articles about (4-(2-(Dimethylamino)ethoxy)phenyl)(4-hydroxyphenyl)methanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 70.0%

4,4'-Dihydroxybenzophenone (611-99-4) + (2-chloroethyl)dimethylamine hydrochloride (4584-46-7) → 4-<2-(N,N-dimethylamino)ethoxy>-4'-hydroxybenzophenone (173163-13-8)

Guidance literature:

4,4'-Dihydroxybenzophenone; With sodium ethanolate; In ethanol; at 80 ℃; for 1h;

(2-chloroethyl)dimethylamine hydrochloride; In ethanol; for 3h; Reflux;

DOI:10.1002/cmdc.201400003

Reference yield: 8.0%

4,4'-Dihydroxybenzophenone (611-99-4) + (2-chloroethyl)dimethylamine hydrochloride (4584-46-7) → 4-<2-(N,N-dimethylamino)ethoxy>-4'-hydroxybenzophenone (173163-13-8) + 4,4'-bis<2-(N,N-dimethylamino)ethoxy>benzophenone

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 16h;

DOI:10.1021/jo952279l

Reference yield:

4,4'-Dihydroxybenzophenone (611-99-4) + 2-(dimethylamino)ethyl chloride (107-99-3) → 4-<2-(N,N-dimethylamino)ethoxy>-4'-hydroxybenzophenone (173163-13-8)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 110 ℃; for 2h;

DOI:10.1016/0040-4039(95)01759-B

upstream raw materials:

4,4'-Dihydroxybenzophenone

2-(dimethylamino)ethyl chloride

(2-chloroethyl)dimethylamine hydrochloride

Downstream raw materials:

4-{1-[4-(2-Dimethylamino-ethoxy)-phenyl]-1-hydroxy-2-phenyl-butyl}-phenol

(Z)-4-Hydroxytoremifene

(E)-4-Hydroxytoremifene

Z-1-<4-(2-dimethylaminoethoxy)phenyl>-1-(4-hydroxyphenyl)-2-phenyl-1-butene