5-beta-Methyl-19-norpregn-9(10)-ene-3,20-dione

Base Information

• Chemical Name: 5-beta-Methyl-19-norpregn-9(10)-ene-3,20-dione
• CAS No.: 130917-92-9
• Molecular Formula: C₂₁H₃₀O₂
• Molecular Weight: 314.468
• DSSTox Substance ID: DTXSID90926967
• Nikkaji Number: J418.737G
• Mol file: 130917-92-9.mol

Synonyms:BRN 4198423;5-beta-Methyl-19-norpregn-9(10)-ene-3,20-dione;19-Norpregn-9-ene-3,20-dione, 5-methyl-, (5-beta)-;130917-92-9;19-Norpregn-9-ene-3,20-dione, 5-methyl-, (5beta)-;DTXSID90926967;LS-97391;5-Methyl-19-norpregn-9-ene-3,20-dione;5-Methyl-19-nor-5beta-pregn-9-ene-3,20-dione

Chemical Property of 5-beta-Methyl-19-norpregn-9(10)-ene-3,20-dione

Chemical Property:

• Vapor Pressure: 4.75E-08mmHg at 25°C
• Melting Point: 144-146 °C
• Boiling Point: 443.1°Cat760mmHg
• Flash Point: 165.3°C
• PSA: 34.14000
• Density: 1.09g/cm³
• LogP: 4.86760
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 314.224580195
• Heavy Atom Count: 23
• Complexity: 601

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CCC2C1(CCC3=C4CCC(=O)CC4(CCC23)C)C
• Isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CCC3=C4CCC(=O)C[C@]4(CC[C@@H]23)C)C

Technology Process of 5-beta-Methyl-19-norpregn-9(10)-ene-3,20-dione

There total 17 articles about 5-beta-Methyl-19-norpregn-9(10)-ene-3,20-dione 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: 98.0%

5-methyl-19-nor-5β-pregn-9-ene-3β,20-diol (130917-91-8,130918-00-2) → 5β-methyl-19-norpregn-9-ene-3,20-dione (130917-92-9)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; In acetone;

Reference yield: 96.0%

(20R)-5-methyl-19-nor-5β-pregn-9-ene-3β,20-diol (130917-91-8) → 5β-methyl-19-norpregn-9-ene-3,20-dione (130917-92-9)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; In acetone;

Reference yield: 44.0%

(20R)-5-methyl-19-nor-5β-pregn-9-ene-3β,20-diol (130917-91-8) → 5β-methyl-19-norpregn-9-ene-3,20-dione (130917-92-9) + (20R)-20-hydroxy-5-methyl-19-nor-5β-pregn-9-en-3-one

Guidance literature:

With jones reagent; In acetone; 1.) -60 deg C, 5 min, 2.) -60 deg C to r.t., 45 min;

DOI:10.1135/cccc19981549

upstream raw materials:

5-methyl-19-nor-5β-pregn-9-ene-3β,20-diol

(20R)-5-methyl-19-nor-5β-pregn-9-ene-3β,20-diol

3β-hydroxy-5β-methyl-19-norpregn-9-en-20-one

(20R)-5-methyl-19-nor-6-oxo-5β-pregn-9-ene-3β,20-diyl 3,20-dibenzoate