5beta-Cholestan-3-one ethylene acetal

Base Information

• Chemical Name: 5beta-Cholestan-3-one ethylene acetal
• CAS No.: 25328-53-4
• Molecular Formula: C29H50O2
• Molecular Weight: 430.715
• DSSTox Substance ID: DTXSID901016358
• Nikkaji Number: J188.234A
• Mol file: 25328-53-4.mol

Synonyms:5beta-Cholestan-3-one ethylene acetal;25328-53-4;DTXSID901016358

Chemical Property of 5beta-Cholestan-3-one ethylene acetal

Chemical Property:

• Melting Point: 51 - 52 °C (pyridine)
• PSA: 18.46000
• LogP: 7.85080
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 430.381080833
• Heavy Atom Count: 31
• Complexity: 637

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC5(C4)OCCO5)C)C
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC5(C4)OCCO5)C)C

Technology Process of 5beta-Cholestan-3-one ethylene acetal

There total 6 articles about 5beta-Cholestan-3-one ethylene acetal 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%

coprostanone (601-53-6) + ethylene glycol (107-21-1) → 3,3-ethylenedioxy-5β-cholestane (25328-53-4)

Guidance literature:

With montmorillonite K-10; In benzene; for 2h; Heating;

DOI:10.1039/a605661j

Reference yield:

C29H46O2 (75886-13-4,79435-25-9,80629-90-9,80655-82-9) → C29H50O2 (1858-14-6,25328-53-4,29769-04-8,80629-92-1)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethyl acetate; for 40h; under 2280 Torr;

DOI:10.1021/ja00544a046

Reference yield:

C23H36O2 (67493-93-0,80594-48-5) → C29H50O2 (1858-14-6,25328-53-4,29769-04-8,80629-92-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) PdCl₂(CH₃CN)2, sodium carbonate / 1.) CH₂Cl₂

2: H₂ / PtO₂ / ethyl acetate / 40 h / 2280 Torr

With dichloro bis(acetonitrile) palladium(II); hydrogen; sodium carbonate; platinum(IV) oxide; In ethyl acetate;

DOI:10.1021/ja00544a046

upstream raw materials:

2-ethyl-2-methyl-1,3-dioxolane

coprostanone

ethylene glycol

C₂₉H₄₆O₂

Downstream raw materials:

coprostanone

Refernces

• 1、 Temple, James S.,Schwartz, Jeffrey. "Regiocontrolled Coupling of (?-Allyl)palladium Complexes with Organozirconium Species: A New Steroid Synthesis". . p. 7381 - 7382. Retrieved 2007/10/02.