Diethylstilbestrol disulfate

Base Information

• Chemical Name: Diethylstilbestrol disulfate
• CAS No.: 316-23-4
• Molecular Formula: C18H20 O8 S2
• Molecular Weight: 428.484
• Hs Code.: 2902909090
• European Community (EC) Number: 206-257-7
• UNII: TCG918143B
• DSSTox Substance ID: DTXSID101046838
• Nikkaji Number: J9.864G
• Wikipedia: Diethylstilbestrol_disulfate
• Wikidata: Q27289899
• ChEMBL ID: CHEMBL1602
• Mol file: 316-23-4.mol

Synonyms:Diethylstilbestrol disulfate;316-23-4;EINECS 206-257-7;UNII-TCG918143B;TCG918143B;(E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate);Stilbestrol disulfate;CHEMBL1602;SCHEMBL3057652;C18H20O8S2;DIETHYLSTILBESTRYL DISULFATE;DTXSID101046838;DIETHYLSTILBESTROL DISULPHATE;C18-H20-O8-S2;Q27289899;.ALPHA.,.ALPHA.'-DIETHYL-4,4'-STILBENEDIOL DISULFURIC ACID ESTER, (E)-;4,4'-STILBENEDIOL, .ALPHA.,.ALPHA.'-DIETHYL-, BIS(HYDROGEN SULFATE), (E)-;PHENOL, 4,4'-((1E)-1,2-DIETHYL-1,2-ETHENEDIYL)BIS-, BIS(HYDROGEN SULFATE);PHENOL, 4,4'-(1,2-DIETHYL-1,2-ETHENEDIYL)BIS-, BIS(HYDROGEN SULFATE), (E)-

Chemical Property of Diethylstilbestrol disulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 143.96000
• Density: 1.44g/cm³
• LogP: 5.94220
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 428.05995994
• Heavy Atom Count: 28
• Complexity: 665

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethylstilbestrol disulfate

There total 1 articles about Diethylstilbestrol disulfate 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:

diethylstilbestrol (56-53-1,8053-00-7) → diethylstilbestrol disulfate (316-23-4) + diethylstilbestrol monosulfate (34210-88-3)

Guidance literature:

With sulfur trioxide pyridine complex; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

upstream raw materials:

diethylstilbestrol

Refernces

Concise Asymmetric Syntheses of Streptazone A and Abikoviromycin**

10.1002/anie.202101439

Gustav J. W?rmer, Nikolaj L. Villadsen, Peter N?rby, and Thomas B. Poulsen, present a highly concise and asymmetric synthesis of the alkaloids Streptazone A and Abikoviromycin, which feature an unusual arrangement of reactive functionalities within a compact tricyclic ring system. The synthesis involves constructing Streptazone B1 using a rhodium-catalyzed distal selective allene-ynamide Pauson-Khand reaction, followed by a regio- and enantioselective epoxidation under chiral phase-transfer catalytic conditions to obtain Streptazone A in just 8 steps. Abikoviromycin is then synthesized in one additional step through a chemoselective, iridium-catalyzed reduction of the enaminone system. The study also investigates the reactivity of Streptazone A towards a cysteine mimic, N-acetylcysteamine, revealing unanticipated transformations, including bis-thiol conjugation that may proceed via the formation of a cyclopentadienone intermediate.

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