(E)-1-[4-[2-(N,N-Dimethylamino)ethoxy]phenyl]-1-[4-(trimethylacetoxy)phenyl]-2-phenylbut-1-ene

Base Information

• Chemical Name: (E)-1-[4-[2-(N,N-Dimethylamino)ethoxy]phenyl]-1-[4-(trimethylacetoxy)phenyl]-2-phenylbut-1-ene
• CAS No.: 177748-19-5
• Molecular Formula: C₃₁H₃₇NO₃
• Molecular Weight: 471.64
• DSSTox Substance ID: DTXSID60399245
• Mol file: 177748-19-5.mol

Synonyms:[4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] 2,2-dimethylpropanoate;177748-19-5;(E)-1-[4-[2-(N,N-DIMETHYLAMINO)ETHOXY]PHENYL]-1-[4-(TRIMETHYLACETOXY)PHENYL]-2-PHENYLBUT-1-ENE;DTXSID60399245

Chemical Property of (E)-1-[4-[2-(N,N-Dimethylamino)ethoxy]phenyl]-1-[4-(trimethylacetoxy)phenyl]-2-phenylbut-1-ene

Chemical Property:

• Melting Point: 113-115°C
• PSA: 38.77000
• LogP: 6.94760
• Solubility.: Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 471.27734404
• Heavy Atom Count: 35
• Complexity: 670

Purity/Quality:

98%Min ^*data from raw suppliers

(E)-1-[4-[2-(N,N-Dimethylamino)ethoxy]phenyl]-1-[4-(trimethylacetoxy)phenyl]-2-phenylbut-1-ene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC=C(C=C2)OC(=O)C(C)(C)C)C3=CC=CC=C3

Technology Process of (E)-1-[4-[2-(N,N-Dimethylamino)ethoxy]phenyl]-1-[4-(trimethylacetoxy)phenyl]-2-phenylbut-1-ene

There total 10 articles about (E)-1-[4-[2-(N,N-Dimethylamino)ethoxy]phenyl]-1-[4-(trimethylacetoxy)phenyl]-2-phenylbut-1-ene 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:

pivaloyl chloride (3282-30-2) → 2,2-Dimethyl-propionic acid 4-{(Z)-1-[4-(2-dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenyl ester (177748-19-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) sodium hydride / 1.) THF, mineral oil, room temperature, 30 min, 2.) THF, mineral oil, 2 h

2: 82 percent / zinc, TiCl₄ / tetrahydrofuran / 5 h / Heating

3: potassium carbonate / acetone; H₂O / 5 h / Heating

With titanium tetrachloride; sodium hydride; potassium carbonate; zinc; In tetrahydrofuran; water; acetone;

DOI:10.1021/jo952279l

Reference yield:

pivaloyl chloride (3282-30-2) → (E)-4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenyl pivalate (177748-19-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) sodium hydride / 1.) THF, mineral oil, room temperature, 30 min, 2.) THF, mineral oil, 2 h

2: 82 percent / zinc, TiCl₄ / tetrahydrofuran / 5 h / Heating

3: potassium carbonate / acetone; H₂O / 5 h / Heating

With titanium tetrachloride; sodium hydride; potassium carbonate; zinc; In tetrahydrofuran; water; acetone;

DOI:10.1021/jo952279l

Reference yield:

1-phenyl-propan-1-one (93-55-0) → 2,2-Dimethyl-propionic acid 4-{(Z)-1-[4-(2-dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenyl ester (177748-19-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / zinc, TiCl₄ / tetrahydrofuran / 5 h / Heating

2: potassium carbonate / acetone; H₂O / 5 h / Heating

With titanium tetrachloride; potassium carbonate; zinc; In tetrahydrofuran; water; acetone;

DOI:10.1021/jo952279l

upstream raw materials:

2-(dimethylamino)ethyl chloride

(E)-1-(4-hydroxyphenyl)-1-[4-(trimethylacetoxy)phenyl]-2-phenylbut-1-ene

pivaloyl chloride

4-hydroxytamoxifen

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