Dimethisterone

Base Information

• Chemical Name: Dimethisterone
• CAS No.: 79-64-1
• Molecular Formula: C23H32 O2
• Molecular Weight: 340.506
• European Community (EC) Number: 201-215-4
• UNII: OIC9M646C5
• DSSTox Substance ID: DTXSID5057834
• Nikkaji Number: J3.848B
• Wikipedia: Dimethisterone
• Wikidata: Q5277305
• NCI Thesaurus Code: C175716
• Metabolomics Workbench ID: 67523
• ChEMBL ID: CHEMBL2106347
• Mol file: 79-64-1.mol

Synonyms:Androst-4-en-3-one, 17-hydroxy-6-methyl-17-(1-propynyl)-, (6alpha,17beta)-;Dimethisterone;Dimethisterone Monohydrate

Chemical Property of Dimethisterone

Chemical Property:

• Vapor Pressure: 3.48E-11mmHg at 25°C
• Melting Point: 102°
• Refractive Index: 1.4480 (estimate)
• Boiling Point: 479°C at 760 mmHg
• Flash Point: 203.5°C
• PSA: 37.30000
• Density: 1.11g/cm³
• LogP: 4.51870
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 340.240230259
• Heavy Atom Count: 25
• Complexity: 706

Purity/Quality:

98%min ^*data from raw suppliers

Dimethisterone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CC1(CCC2C1(CCC3C2CC(C4=CC(=O)CCC34C)C)C)O
• Isomeric SMILES: CC#C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)C)C)O
• Therapeutic Function: Progestin

Technology Process of Dimethisterone

There total 13 articles about Dimethisterone 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:

6-methyl-21,24-dinor-17βH-chol-5-en-20-yne-3β,17-diol (97830-99-4) → 6α-Methyl-17-(1-propynyl)testosterone (79-64-1)

Guidance literature:

With cyclohexanone; aluminum isopropoxide; toluene;

Reference yield:

5,17-dihydroxy-6β-methyl-21,24-dinor-5α,17βH-chol-20-yn-3-one (16321-76-9) → 6α-Methyl-17-(1-propynyl)testosterone (79-64-1)

Guidance literature:

With hydrogenchloride;

Reference yield:

21,24-dinor-17βH-chol-5-en-20-yne-3β,17-diol (41672-76-8) → 6α-Methyl-17-(1-propynyl)testosterone (79-64-1)

Guidance literature:

Multi-step reaction with 5 steps

1: tetrahydrofuran; monoperoxyphthalic acid; diethyl ether

4: pyridine-CrO₃

5: ethanolic HCl

With tetrahydrofuran; pyridine; chromium(VI) oxide; hydrogenchloride; monoperoxyphthalic acid; diethyl ether;

upstream raw materials:

6-methyl-21,24-dinor-17βH-chol-5-en-20-yne-3β,17-diol

5,17-dihydroxy-6β-methyl-21,24-dinor-5α,17βH-chol-20-yn-3-one

21,24-dinor-17βH-chol-5-en-20-yne-3β,17-diol

6-methyl-17βH-pregn-5-en-20-yne-3β,17-diol

Refernces