Pregna-3,5-dien-20-one

Base Information

• Chemical Name: Pregna-3,5-dien-20-one
• CAS No.: 1093-87-4
• Molecular Formula: C21H30 O
• Molecular Weight: 298.469
• NSC Number: 63302
• DSSTox Substance ID: DTXSID80289735
• Nikkaji Number: J591.307A
• Wikidata: Q82027179
• Mol file: 1093-87-4.mol

Synonyms:Pregna-3,5-dien-20-one;1093-87-4;NSC63302;SCHEMBL2593080;DTXSID80289735;YXRFQWKNFFQPAQ-LEKSSAKUSA-N;NSC-63302

Chemical Property of Pregna-3,5-dien-20-one

Chemical Property:

• Vapor Pressure: 3.65E-07mmHg at 25°C
• Boiling Point: 417°Cat760mmHg
• Flash Point: 178.8°C
• Density: 1.04g/cm³
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 298.229665576
• Heavy Atom Count: 22
• Complexity: 556

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC=C4)C)C
• Isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC=C4)C)C

Technology Process of Pregna-3,5-dien-20-one

There total 2 articles about Pregna-3,5-dien-20-one 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:

Pregnenolone (145-13-1) → Progesterone (57-83-0) + 6-dehydroprogesterone (1162-56-7) + pregna-3,5-dien-20-one (1093-87-4)

Guidance literature:

copper; at 320 ℃; Product distribution; percent of conversion;

Reference yield:

Pregnenolone (145-13-1) → (20S)-20-hydroxypregn-4-en-3-one (145-14-2) + pregna-3,5-dien-20-one (1093-87-4) + pregn-5-ene-3β,20α-diol (901-57-5,10148-89-7,50897-02-4,59042-34-1,901-56-4) + (20R)-pregn-5-ene-3β,20-diol (901-57-5) + 20β-hydroxy-pregna-3,5-diene (23397-92-4) + 20α-hydroxy-pregna-3,5-diene (71074-16-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 1h; Product distribution; Heating; effect of the presence of AlCl₃;

upstream raw materials:

Pregnenolone