N,N-diethyl-2-[4-[(Z)-1-(4-fluorophenyl)-2-phenylethenyl]phenoxy]ethanamine

Base Information

• Chemical Name: N,N-diethyl-2-[4-[(Z)-1-(4-fluorophenyl)-2-phenylethenyl]phenoxy]ethanamine
• CAS No.: 110465-94-6
• Molecular Formula: C26H28 F N O
• Molecular Weight: 389.51
• Hs Code.: 2922299090
• Mol file: 110465-94-6.mol

Synonyms:1-(4-fluorophenyl)-1-(4-(2-N,N-diethylamino)ethoxy)phenyl-2-phenylethylene;1-FDEPCP;fluoro-clomiphene

Chemical Property of N,N-diethyl-2-[4-[(Z)-1-(4-fluorophenyl)-2-phenylethenyl]phenoxy]ethanamine

Chemical Property:

• Vapor Pressure: 1.44E-09mmHg at 25°C
• Boiling Point: 485.2°C at 760 mmHg
• Flash Point: 247.2°C
• PSA: 12.47000
• Density: 1.09g/cm³
• LogP: 6.13520
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 389.21549268
• Heavy Atom Count: 29
• Complexity: 467

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(=CC2=CC=CC=C2)C3=CC=C(C=C3)F
• Isomeric SMILES: CCN(CC)CCOC1=CC=C(C=C1)/C(=C/C2=CC=CC=C2)/C3=CC=C(C=C3)F

Technology Process of N,N-diethyl-2-[4-[(Z)-1-(4-fluorophenyl)-2-phenylethenyl]phenoxy]ethanamine

There total 4 articles about N,N-diethyl-2-[4-[(Z)-1-(4-fluorophenyl)-2-phenylethenyl]phenoxy]ethanamine 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: 69.0%

2-chloro-N,N-diethylethylamine hydrochloride (869-24-9) + 1-(4-fluorophenyl)-1-(4-hydroxyphenyl)-2-phenylethylene (110465-93-5) → 1-(4-fluorophenyl)-1-<4-<2-(N,N-diethylamino)ethoxy>phenyl>-2-phenylethylene (110465-94-6)

Guidance literature:

With potassium hydroxide; In ethanol; for 3h; Heating;

DOI:10.1016/0039-128X(86)90042-5

Reference yield:

4-fluoro-4'-methoxybenzophenone (345-89-1) → 1-(4-fluorophenyl)-1-<4-<2-(N,N-diethylamino)ethoxy>phenyl>-2-phenylethylene (110465-94-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 2) AcOH, H₂SO₄ / 1) ether, reflux, 5 h, 2) r.t., 3 h

2: 92 percent / BBr₃ / CH₂Cl₂ / 1 h / Ambient temperature

3: 69 percent / KOH / ethanol / 3 h / Heating

With potassium hydroxide; sulfuric acid; boron tribromide; acetic acid; In ethanol; dichloromethane;

DOI:10.1016/0039-128X(86)90042-5

Reference yield:

1-(4-fluorophenyl)-1-(4-methoxyphenyl)-2-phenylethylene (110485-90-0) → 1-(4-fluorophenyl)-1-<4-<2-(N,N-diethylamino)ethoxy>phenyl>-2-phenylethylene (110465-94-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / BBr₃ / CH₂Cl₂ / 1 h / Ambient temperature

2: 69 percent / KOH / ethanol / 3 h / Heating

With potassium hydroxide; boron tribromide; In ethanol; dichloromethane;

DOI:10.1016/0039-128X(86)90042-5

upstream raw materials:

2-chloro-N,N-diethylethylamine hydrochloride

1-(4-fluorophenyl)-1-(4-hydroxyphenyl)-2-phenylethylene

4-fluoro-4'-methoxybenzophenone

1-(4-fluorophenyl)-1-(4-methoxyphenyl)-2-phenylethylene

Downstream raw materials:

(Z)-fluoro-clomiphene

fluoro-clomiphene