cis-Diethylstilbestrol

Base Information

• Chemical Name: cis-Diethylstilbestrol
• CAS No.: 22610-99-7
• Molecular Formula: C18H20 O2
• Molecular Weight: 268.356
• Hs Code.: 2907299090
• European Community (EC) Number: 678-392-3
• DSSTox Substance ID: DTXSID501314114
• Nikkaji Number: J61.231F
• ChEMBL ID: CHEMBL73310
• Mol file: 22610-99-7.mol

Synonyms:cis-Diethylstilbestrol;cis-Diethyl Stilbestrol;22610-99-7;4-[(Z)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;CCRIS 9140;Stilbestrol;DES;6898-97-1;AI3-17297;Diethylsafranine;CAS-56-53-1;4,4'-Stilbenediol, .alpha.,.alpha.'-diethyl-;4,4'-Stilbenediol, .alpha.,.alpha.'-diethyl-, (Z)-;Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (Z)-;CHEMBL73310;Phenol, 4,4'-(1,2-diethyl-1,2-ethylenediyl)bis-, (Z)- (9CI);SCHEMBL6542190;4-[(1Z)-1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]phenol;DTXSID501314114;AKOS024282957;CS-O-05814;NCGC00016248-01;NCGC00188969-01;n-Amino-n-benzylpropylchloridehydrochloride;E85449;J-014783;4-[(3Z)-4-(4-HYDROXYPHENYL)HEX-3-EN-3-YL]PHENOL

Chemical Property of cis-Diethylstilbestrol

Chemical Property:

• Boiling Point: 407.1°Cat760mmHg
• Flash Point: 186.9°C
• PSA: 40.46000
• Density: 1.107g/cm³
• LogP: 4.82860
• Storage Temp.: Amber Vial, -20°C Freezer, Under Inert Atmosphere
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 268.146329876
• Heavy Atom Count: 20
• Complexity: 286

Purity/Quality:

98%Min ^*data from raw suppliers

cis-DiethylStilbestrol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
• Isomeric SMILES: CC/C(=C(\CC)/C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O
• Uses: A synthetic, nonsteroidal estrogen. Recomended solvents are DMSO, DMF and ethanol, even in these solvents do not store in solution for any prolonged period of time. A synthetic, nonsteroidal estrogen.Recomended solvents are DMSO, DMF and ethanol, even in these solvents do not store in solution for any prolonged period of time.

Technology Process of cis-Diethylstilbestrol

There total 21 articles about cis-Diethylstilbestrol 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: 72.0%

C15H11FO2 + 4-hydroxypropiophenone (70-70-2) → diethylstilbestrol (6898-97-1,22610-99-7,56-53-1,8053-00-7) + C24H21FO2 + C30H22F2O2

Guidance literature:

With tin(IV) chloride; zinc; In tetrahydrofuran; at 64 - 66 ℃; for 4h; Inert atmosphere;

DOI:10.1039/c5ra15685h

Reference yield: 70.0%

C15H11FO2 + 4-hydroxypropiophenone (70-70-2) → diethylstilbestrol (6898-97-1,22610-99-7,56-53-1,8053-00-7) + C24H21FO2 + C30H22F2O2

Guidance literature:

With tin(IV) chloride; zinc; In tetrahydrofuran; at 64 - 66 ℃; for 4h; Inert atmosphere;

DOI:10.1039/c5ra15685h

Reference yield: 70.0%

C15H12O2 + 4-hydroxypropiophenone (70-70-2) → diethylstilbestrol (6898-97-1,22610-99-7,56-53-1,8053-00-7) + C24H22O2 + C30H24O2

Guidance literature:

With tin(IV) chloride; zinc; In tetrahydrofuran; at 64 - 66 ℃; for 4h; Inert atmosphere;

DOI:10.1039/c5ra15685h

upstream raw materials:

diethylstilbestrol dimethyl ether

C₂₀H₂₄O₂

1,4-di(4-methoxyphenyl)ethanone

1,2-bis(4-methoxyphenyl)butanone

Downstream raw materials:

3,3'-<α,β-Diethyl-4,4'-stilbendiylbis-(oxycarbonyl)>-dipropionsaeure

Diaethylstilboestrol-bis-β-(p-methoxyphenyl)-propionat

Diaethylstilboestrol-bis-β-(p-propoxyphenyl)-propionat

Diaethylstilboestrol-bis-β-(p-butoxyphenyl)-propionat