[4-[(E)-2-(4-Acetoxyphenyl)-1-ethyl-but-1-enyl]phenyl] acetate

Base Information

• Chemical Name: [4-[(E)-2-(4-Acetoxyphenyl)-1-ethyl-but-1-enyl]phenyl] acetate
• CAS No.: 5965-06-0
• Molecular Formula: C₂₂H₂₄O₄
• Molecular Weight: 352.43
• UNII: 4UU7RFG2SF
• DSSTox Substance ID: DTXSID901024234
• Nikkaji Number: J460.822D
• Wikipedia: Diethylstilbestrol_diacetate
• Mol file: 5965-06-0.mol

Synonyms:5965-06-0;4UU7RFG2SF;Diethylstilbestrol diacetate;NFCAKXYIMSRNLP-QURGRASLSA-N;DTXSID901024234;3,4-Bis(4-acetoxyphenyl)-3-hexene;[4-[(E)-2-(4-Acetoxyphenyl)-1-ethyl-but-1-enyl]phenyl] acetate;Phenol, 4,4'-((1E)-1,2-diethyl-1,2-ethenediyl)bis-, diacetate;Phenol, 4,4'-[(1E)-1,2-diethyl-1,2-ethenediyl]bis-, 1,1'-diacetate

Chemical Property of [4-[(E)-2-(4-Acetoxyphenyl)-1-ethyl-but-1-enyl]phenyl] acetate

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 352.16745924
• Heavy Atom Count: 26
• Complexity: 460

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(CC)C1=CC=C(C=C1)OC(=O)C)C2=CC=C(C=C2)OC(=O)C
• Isomeric SMILES: CC/C(=C(/CC)\C1=CC=C(C=C1)OC(=O)C)/C2=CC=C(C=C2)OC(=O)C

Technology Process of [4-[(E)-2-(4-Acetoxyphenyl)-1-ethyl-but-1-enyl]phenyl] acetate

There total 9 articles about [4-[(E)-2-(4-Acetoxyphenyl)-1-ethyl-but-1-enyl]phenyl] acetate 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:

1,2-bis(4-methoxyphenyl)butanone (4390-94-7) → trans-<4,4'-(diethylvinylen) bis (phenyl)>diacetate (5965-06-0)

Guidance literature:

Multi-step reaction with 4 steps

1: diethyl ether; benzene

2: KHSO₄ / 195 - 200 °C

3: ethanolic KOH / 200 - 210 °C

4: pyridine

With pyridine; potassium hydroxide; potassium hydrogensulfate; diethyl ether; benzene;

Reference yield:

3,4-bis-(4-acetoxy-phenyl)-hexa-2t,4t-diene (24705-61-1) → trans-<4,4'-(diethylvinylen) bis (phenyl)>diacetate (5965-06-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetone; under 2585.7 Torr; Ambient temperature;

Reference yield:

4-(1-oxopropyl)phenyl acetate (25743-56-0) → trans-<4,4'-(diethylvinylen) bis (phenyl)>diacetate (5965-06-0)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Al-Hg, AcOEt, H₂O, (ii) Ac₂O, AcCl

2: H₂ / Pd-C / acetone / 2585.7 Torr / Ambient temperature

With hydrogen; palladium on activated charcoal; In acetone;

upstream raw materials:

diethylstilbestrol

acetic anhydride

acetyl chloride

3,4-bis-(4-acetoxy-phenyl)-hexa-2t,4t-diene

Downstream raw materials:

3,4-bis-(4-acetoxy-phenyl)-3,4-dibromo-hexane

trans-<4,4'-(2,3-diethyl-2,3-oxiranediyl) bis (phenyl)>-diacetate

4,4-bis-(4-methoxy-phenyl)-hexan-3-one

diethylstilbesterol pinacolone