Isodienestrol diacetate

Base Information

• Chemical Name: Isodienestrol diacetate
• CAS No.: 84-19-5
• Molecular Formula: C22H22 O4
• Molecular Weight: 350.414
• Hs Code.: 2916399090
• European Community (EC) Number: 201-520-2
• UNII: 9J6Q8L2W1G
• Wikipedia: Dienestrol_diacetate
• Wikidata: Q27272617
• Mol file: 84-19-5.mol

Synonyms:dienestrol diacetate

Chemical Property of Isodienestrol diacetate

Chemical Property:

• Vapor Pressure: 2.42E-08mmHg at 25°C
• Melting Point: 122°C
• Refractive Index: 1.4400 (estimate)
• Boiling Point: 451.5°C at 760 mmHg
• Flash Point: 2 °C
• PSA: 52.60000
• Density: 1.115g/cm³
• LogP: 5.04400
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 350.15180918
• Heavy Atom Count: 26
• Complexity: 495

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

3,4-Bis-(4-acetoxyphenyl)-2,4-hexadiene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,F
• Statements: 36/37/38-48-40-36-20/21/22-11
• Safety Statements: 26-36/37/39-24/25-22-36/37-16

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Isodienestrol diacetate

There total 3 articles about Isodienestrol diacetate 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:

Dienol (13029-44-2,35495-11-5,76156-28-0,84-17-3,24705-65-5,24730-13-0) + acetic anhydride (108-24-7) → dienoestrol diacetate (84-19-5)

Guidance literature:

With pyridine; substance of mp: 148 degree;

Reference yield:

diethylstilbestrol (56-53-1,8053-00-7) → dienoestrol diacetate (84-19-5)

Guidance literature:

Multi-step reaction with 2 steps

1: lead(IV) acetate; ethyl acetate / Schuetteln der Reaktionsloesung mit wss. NaOH

2: pyridine

With pyridine; lead(IV) acetate; ethyl acetate;

Reference yield:

→ dienoestrol diacetate (84-19-5)

Guidance literature:

meso-3,4-Bis-(4-hydroxy-phenyl)-hexandiol-(3,4), Acetylchlorid/Methylethylketon, kochen;

DOI:10.1021/jo01080a024

upstream raw materials:

Dienol

acetic anhydride

diethylstilbestrol