19957-52-9

Basic information

• Product Name: N,N-Diethyl-2-[p-(1,2-diphenylvinyl)phenoxy]ethylamine
• Synonyms: N,N-Diethyl-2-[p-(1,2-diphenylvinyl)phenoxy]ethylamine;Deschloro Clomiphene;2-[4-(1,2-Diphenylethenyl)phenoxy]-N,N-diethyl-ethanaMine;2-[p-(1,2-Diphenylvinyl)phenoxy]-triethylaMine;E.I.P.W. 103;α-[4-(2-DiethylaMinoethoxy)phenyl]stilbene
• CAS NO: 19957-52-9
• Molecular Formula: C₂₆H₂₉NO
• Molecular Weight: 371.51
• Product Categories: Amines;Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals;Amines, Aromatics, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 19957-52-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 485.6±33.0 °C(Predicted)
• Appearance: /
• Density: 1.052±0.06 g/cm3(Predicted)
• Refractive Index: 1.597
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 9.60±0.25(Predicted)
• Stability: Light Sensitive
• CAS DataBase Reference: N,N-Diethyl-2-[p-(1,2-diphenylvinyl)phenoxy]ethylamine(CAS DataBase Reference)
• NIST Chemistry Reference: N,N-Diethyl-2-[p-(1,2-diphenylvinyl)phenoxy]ethylamine(19957-52-9)
• EPA Substance Registry System: N,N-Diethyl-2-[p-(1,2-diphenylvinyl)phenoxy]ethylamine(19957-52-9)

Safety Data

• Hazardous Substances Data: 19957-52-9(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 19957-52-9 differently. You can refer to the following data:
1. Clomiphene (C587025) analog, with estrogenic activity. Deschloro CloMiphene can be used in the preparation of antifertility agents.
2. Clomiphene (C587025) analog, with estrogenic activity. Also used in the preparation of antifertility agents.

InChI:InChI=1/C26H29NO/c1-3-27(4-2)19-20-28-25-17-15-24(16-18-25)26(23-13-9-6-10-14-23)21-22-11-7-5-8-12-22/h5-18,21H,3-4,19-20H2,1-2H3

Upstream product

• 501-65-5 diphenyl acetylene 
• 100-37-8 2-(Diethylamino)ethanol 
• 352-13-6 4-flourophenylmagnesium bromide 

Downstream Products

• 50-41-9 clomifene citrate 
• 7599-79-3 clomiphene citrate 

Relevant articles and documents

Stereoselective Nickel(II)-Catalyzed Addition of Aryl Grignards to Diphenylacetylene in the Synthesis of Zuclomiphene

Stereoselective synthesis of zuclomiphene was developed using nickel-catalyzed addition of 4-fluorophenylmagnesium bromide to 1,2-diphenylacetylene, followed by quenching with a chlorinating reagent. Since the aryl fluoride addition and chlorination reactions occur consecutively in one pot, the cis orientation of the two phenyl groups of 1,2-diphenylacetylene is conserved, leading to the highly selective synthesis of zuclomiphene. The use of the Grignard reagent resulted in the presence of bromide ions in the reaction mixture, which led to the formation of the bromo-analog of zuclomiphene. Alternative routes were then explored to overcome this issue to yield high-purity zuclomiphene.