5-Hydroxycholestan-6-one

Base Information

• Chemical Name: 5-Hydroxycholestan-6-one
• CAS No.: 19043-54-0
• Molecular Formula: C27H46O2
• Molecular Weight: 402.661
• NSC Number: 134921
• DSSTox Substance ID: DTXSID90300107

Synonyms:5-Hydroxycholestan-6-one;19043-54-0;Cholestan-5-ol-6-one;NSC134921;5-Hydroxycholestan-6-one #;DTXSID90300107;AYXDXVGGAIDTQI-UHFFFAOYSA-N;NSC-134921

Chemical Property of 5-Hydroxycholestan-6-one

Chemical Property:

• Vapor Pressure: 6.02E-12mmHg at 25°C
• Boiling Point: 496.7°Cat760mmHg
• Flash Point: 210.6°C
• Density: 1.013g/cm³
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 402.349780706
• Heavy Atom Count: 29
• Complexity: 626

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)C4(C3(CCCC4)C)O)C

Technology Process of 5-Hydroxycholestan-6-one

There total 5 articles about 5-Hydroxycholestan-6-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: 70.0%

6-nitrocholest-5-ene (1912-53-4) → 5α-cholestan-6-one (570-46-7) + 5-hydroxy-5α-cholestan-6-one (19043-54-0)

Guidance literature:

tin(ll) chloride; In tetrahydrofuran; for 0.25h; microwave irradiation;

Reference yield: 20.0%

6-nitrocholest-5-ene (1912-53-4) → 5α-cholestan-6-one (570-46-7) + 5-hydroxy-5α-cholestan-6-one (19043-54-0) + (5R,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-Dimethyl-hexyl)-5-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-6-one oxime (73746-14-2)

Guidance literature:

With trifluoroacetic acid; sodium iodide;

DOI:10.1039/c39890001470

Reference yield: 6.0%

chloro-trimethyl-silane (75-77-4) + 6-nitrocholest-5-ene (1912-53-4) → 5α-cholestan-6-one (570-46-7) + 5-hydroxy-5α-cholestan-6-one (19043-54-0) + (5R,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-Dimethyl-hexyl)-5-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-6-one oxime (73746-14-2)

Guidance literature:

With sodium iodide; In dichloromethane; at -5 - 0 ℃; for 0.166667h;

DOI:10.1039/c39890001470

upstream raw materials:

chloro-trimethyl-silane

6-nitrocholest-5-ene

6β-Chloro-5-hydroxy-5α-cholestane

potassium thioacyanate

Downstream raw materials:

cholestane

5α-cholestan-6-one

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