Diethylstilbestrol dipropionate

Base Information

• Chemical Name: Diethylstilbestrol dipropionate
• CAS No.: 130-80-3
• Deprecated CAS: 29864-80-0
• Molecular Formula: C24H28 O4
• Molecular Weight: 380.484
• Hs Code.: 2917399090
• European Community (EC) Number: 204-995-4
• UN Number: 3249
• UNII: Y98CK3J0OL
• DSSTox Substance ID: DTXSID7047146
• Nikkaji Number: J5.553K,J2.332.415F
• Wikipedia: Diethylstilbestrol_dipropionate
• Wikidata: Q24884662
• NCI Thesaurus Code: C74557
• ChEMBL ID: CHEMBL1525298
• Mol file: 130-80-3.mol

Synonyms:diethyldioxystilbene dipropionate;diethylstilbestrol dipropionate;diethylstilbestrol dipropionate, (E)-isomer;diethylstilbestrol propionate;Oestro-Gynaedron;Oestrogynaedron;Oroestron;stilbestrol dipropionate

Chemical Property of Diethylstilbestrol dipropionate

Chemical Property:

• Vapor Pressure: 1.29E-09mmHg at 25°C
• Melting Point: 104°
• Refractive Index: 1.542
• Boiling Point: 486.4°Cat760mmHg
• Flash Point: 237°C
• PSA: 52.60000
• Density: 1.075g/cm³
• LogP: 6.04820
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 380.19875937
• Heavy Atom Count: 28
• Complexity: 487
• Transport DOT Label: Poison

Purity/Quality:

98%Min ^*data from raw suppliers

Diethylstilbestrol dipropionate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 45-46-61-20/21/22
• Safety Statements: 53-22-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Diethylstilbestrol dipropionate

There total 20 articles about Diethylstilbestrol dipropionate 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:

3.4-bis-(4-propionyloxy-phenyl)-hexadiene-(2t.4t) (6033-96-1) → Clinestrol (130-80-3)

Guidance literature:

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

Reference yield:

diethylstilbestrol (56-53-1,8053-00-7) + propionic acid anhydride (123-62-6) → Clinestrol (130-80-3)

Guidance literature:

With pyridine; at 25 ℃;

DOI:10.1007/BF00898697

Reference yield:

dienestrol (13029-44-2) → Clinestrol (130-80-3)

Guidance literature:

Multi-step reaction with 2 steps

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

2: Py

With pyridine; hydrogen; palladium on activated charcoal; In acetone;

upstream raw materials:

pyridine

diethylstilbestrol

propionic acid anhydride

propionyl chloride

Downstream raw materials:

meso-3,4-bis-(4-propionyloxy-phenyl)-hexane

cis-3,4-Bis(p-hydroxyphenyl)-3-hexene

dl-hexestrol

Diethylstilbestrol dimethyl ether

Refernces