4,beta-Diethylstilbene

Base Information

• Chemical Name: 4,beta-Diethylstilbene
• CAS No.: 7773-34-4
• Molecular Formula: C20H24O2
• Molecular Weight: 296.409
• European Community (EC) Number: 231-872-2
• NSC Number: 41198,8137
• Mol file: 7773-34-4.mol

Synonyms:4,.beta.-diethylstilbene;.alpha.,4'-dimethoxystilbene;WLN: 1OR DY2& 2U;3-Hexene,4-bis(p-methoxyphenyl)-;trans-.alpha.,4'-dimethoxystilbene;3-Hexene,4-bis(4-methoxyphenyl)-;Stilbene,.alpha.'-diethyl-4,4'-dimethoxy-;(E)-1,2-Diethyl-1,2-ethene-diyl)bis(4-methoxybenzene);Benzene,1'-(1,2-diethyl-1,2-ethenediyl)bis[4-methoxy-;7773-34-4;BIDD:ER0204;SCHEMBL554922;NSC8137;NSC-8137;NSC41198;NSC-41198

Chemical Property of 4,beta-Diethylstilbene

Chemical Property:

• Vapor Pressure: 7.34E-07mmHg at 25°C
• Refractive Index: 1.4800 (estimate)
• Boiling Point: 419.6°Cat760mmHg
• Flash Point: 153°C
• PSA: 18.46000
• Density: 1.01g/cm³
• LogP: 5.43460
• Storage Temp.: 2-8°C
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 296.177630004
• Heavy Atom Count: 22
• Complexity: 311

Purity/Quality:

97% ^*data from raw suppliers

Diethylstilbestrol dimethyl ether European Pharmacopoeia (EP) Reference Standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4,beta-Diethylstilbene

There total 5 articles about 4,beta-Diethylstilbene 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:

2,3-Diethyl-2,3-bis-(4-methoxy-phenyl)-succinic acid → diethylstilbestrol dimethyl ether (7773-34-4)

Guidance literature:

With lead(IV) acetate; In tetrahydrofuran; for 72h; Yield given; Heating;

Reference yield:

2-(4-methoxyphenyl)-n-butanoic acid (4646-94-0,13491-19-5,13491-20-8,29644-99-3) → diethylstilbestrol dimethyl ether (7773-34-4)

Guidance literature:

Multi-step reaction with 2 steps

1: n-BuLi, diisopropyl amine, I₂ / tetrahydrofuran; hexane / 1.) room temperature, 1h, 2.) 4 h, 3.) -75 deg C, 16 h

2: Pb(OAc)4 / tetrahydrofuran / 72 h / Heating

With lead(IV) acetate; n-butyllithium; iodine; diisopropylamine; In tetrahydrofuran; hexane;

Reference yield:

2-(4-Methoxy-phenyl)-2-trimethylsilanyloxy-butyronitrile → diethylstilbestrol dimethyl ether (7773-34-4)

Guidance literature:

Multi-step reaction with 3 steps

1: SnCl₂*2H₂O / HCl; acetic acid / Heating

2: n-BuLi, diisopropyl amine, I₂ / tetrahydrofuran; hexane / 1.) room temperature, 1h, 2.) 4 h, 3.) -75 deg C, 16 h

3: Pb(OAc)4 / tetrahydrofuran / 72 h / Heating

With lead(IV) acetate; n-butyllithium; iodine; diisopropylamine; tin(ll) chloride; In tetrahydrofuran; hydrogenchloride; hexane; acetic acid;

upstream raw materials:

4-chloromethoxybenzene

4-(4-methoxyphenyl)hexan-3-one

2-(4-methoxyphenyl)-n-butanoic acid

4-Methoxypropiophenone

Downstream raw materials:

4-{5-[(E)-1-Ethyl-2-(4-hydroxy-phenyl)-but-1-enyl]-2-hydroxy-phenyl}-4-oxo-butyric acid

diethylstilbestrol

4-{5-[(E)-1-Ethyl-2-(4-methoxy-phenyl)-but-1-enyl]-2-methoxy-phenyl}-4-oxo-butyric acid

Refernces

• 1、 Belletire, J. L.,Conroy, G. M.. "STERICALLY-DRIVEN ANHYDRIDE FORMATION". . p. 403 - 416. Retrieved 2007/10/02.