4-[2-(Diethylamino)ethoxy]benzophenone

Base Information

• Chemical Name: 4-[2-(Diethylamino)ethoxy]benzophenone
• CAS No.: 796-77-0
• Molecular Formula: C19H23 N O2
• Molecular Weight: 297.397
• European Community (EC) Number: 212-348-2
• UNII: 33MKV7B37Z
• DSSTox Substance ID: DTXSID80229792
• Nikkaji Number: J134.899J
• Wikidata: Q83110120
• Mol file: 796-77-0.mol

Synonyms:796-77-0;(4-(2-(Diethylamino)ethoxy)phenyl)(phenyl)methanone;4-[2-(DIETHYLAMINO)ETHOXY]BENZOPHENONE;4-(2-(Diethylamino)ethoxy)benzophenone;[4-[2-(diethylamino)ethoxy]phenyl]-phenylmethanone;33MKV7B37Z;EINECS 212-348-2;(4-(2-(Diethylamino)ethoxy)phenyl)phenylmethanone;[4-[2-(Diethylamino)ethoxy]phenyl]phenylmethanone;Methanone, (4-(2-(diethylamino)ethoxy)phenyl)phenyl-;Methanone, [4-[2-(diethylamino)ethoxy]phenyl]phenyl-;{4-[2-(diethylamino)ethoxy]phenyl}(phenyl)methanone;UNII-33MKV7B37Z;SCHEMBL5810064;DTXSID80229792;MFCD16457562;AKOS027385299;SB82453;DS-18679;CS-0152026;FT-0667396;D83317;CLOMIFENE CITRATE IMPURITY B [EP IMPURITY]

Chemical Property of 4-[2-(Diethylamino)ethoxy]benzophenone

Chemical Property:

• Vapor Pressure: 1.33E-07mmHg at 25°C
• Boiling Point: 430.1°C at 760 mmHg
• PKA: 9.50±0.25(Predicted)
• Flash Point: 213.9°C
• PSA: 29.54000
• Density: 1.057g/cm³
• LogP: 3.63820
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Soluble), Dicloromethane (Slightly), Methanol (Sparingly)
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 297.172878976
• Heavy Atom Count: 22
• Complexity: 313

Purity/Quality:

99.9% ^*data from raw suppliers

4-[2-(Diethylamino)ethoxy]benzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
• Uses: 4-[2-(diethylamino)ethoxy]benzophenone is used in the preparation of antifertility agents.

Technology Process of 4-[2-(Diethylamino)ethoxy]benzophenone

There total 3 articles about 4-[2-(Diethylamino)ethoxy]benzophenone 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: 97.0%

2-chloro-N,N-diethylethylamine hydrochloride (869-24-9) + 4-Hydroxybenzophenone (1137-42-4) → 4-[2-(N,N-diethylamino)ethoxy]benzophenone (796-77-0)

Guidance literature:

With potassium carbonate; In acetone; for 6h; Heating;

DOI:10.1021/jm001119l

Reference yield:

2-(diethylamino)ethyl chloride (100-35-6) + 4-Hydroxybenzophenone (1137-42-4) → 4-[2-(N,N-diethylamino)ethoxy]benzophenone (796-77-0)

Guidance literature:

Multistep reaction; (i) Na, (ii) /BRN= 605300/;

DOI:10.1021/jm00326a018

Reference yield:

→ 4-[2-(N,N-diethylamino)ethoxy]benzophenone (796-77-0)

Guidance literature:

/BRN= 1975250/;

upstream raw materials:

2-(diethylamino)ethyl chloride

4-Hydroxybenzophenone

2-chloro-N,N-diethylethylamine hydrochloride

Downstream raw materials:

1-[4-(2-Diethylamino-ethoxy)-phenyl]-1-phenyl-prop-2-en-1-ol

4-(β-diethylaminoethoxy)-α-ethyl-benzhydrol

1-<-4-<2-(diethylamino)ethoxy>phenyl>-1-phenyl-2-<(4-benzyloxy)phenyl>-2-hydroxyethene

1-<4-<2-(diethylamino)ethoxy>phenyl>-1-phenyl-2-hydroxy-2-<3-methoxy-4-(benzyloxy)phenyl>ethene

Refernces

• 1、 Meegan,Hughes,Lloyd,Williams,Zisterer. "Flexible estrogen receptor modulators: Design, synthesis, and antagonistic effects in human MCF-7 breast cancer cells". . p. 1072 - 1084. Retrieved 2007/10/03.