3-(Cyclohexylmethoxy)cholestane

Base Information

• Chemical Name: 3-(Cyclohexylmethoxy)cholestane
• CAS No.: 6242-21-3
• Molecular Formula: C34H60O
• Molecular Weight: 484.8396
• NSC Number: 71295
• DSSTox Substance ID: DTXSID50977995
• Wikidata: Q82963343
• Mol file: 6242-21-3.mol

Synonyms:6242-21-3;NSC71295;3-(Cyclohexylmethoxy)cholestane;DTXSID50977995;NSC-71295

Chemical Property of 3-(Cyclohexylmethoxy)cholestane

Chemical Property:

• Vapor Pressure: 2.14E-10mmHg at 25°C
• Boiling Point: 520°C at 760 mmHg
• Flash Point: 270.7°C
• Density: 0.96g/cm³
• XLogP3: 12.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 484.464416533
• Heavy Atom Count: 35
• Complexity: 678

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(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OCC5CCCCC5)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(CC[C@@H](C4)OCC5CCCCC5)C)C

Technology Process of 3-(Cyclohexylmethoxy)cholestane

There total 12 articles about 3-(Cyclohexylmethoxy)cholestane 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: 99.0%

N-phenyl-2,2,2-trifluoroacetimidoyl chloride (952057-61-3) + Cholestanol (80-97-7) → 5α-cholestan-3β-yl benzyl ether (69483-57-4,6242-21-3)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; 5 Angstroem MS; In 1,4-dioxane; at 20 ℃; for 1.5h;

DOI:10.1246/cl.2007.992

Reference yield:

benzyl bromide (100-39-0) + 3-hydroxy-cholestane (27409-41-2) → 3α-benzyloxycholestane (6242-21-3) + 3β-benzyloxycholestane (75364-26-0,6242-21-3)

Guidance literature:

With potassium hydroxide; 18-crown-6 ether; In tetrahydrofuran; at 20 ℃; for 22h; Title compound not separated from byproducts.;

DOI:10.1002/chem.200701147

Reference yield:

benzyl bromide (100-39-0) + 3-hydroxy-cholestane (27409-41-2) → 3α-benzyloxycholestane (6242-21-3) + 3β-benzyloxycholestane (75364-26-0,6242-21-3)

Guidance literature:

With potassium hydroxide; 18-crown-6 ether; In tetrahydrofuran; at 20 ℃; for 22h; Title compound not separated from byproducts.;

DOI:10.1002/chem.200701147

upstream raw materials:

Cholestanol

benzyl chloride

1-(5α-cholestan-3β-yl)-1-phenylmethylenedimethylammonium chloride

N-phenyl-2,2,2-trifluoroacetimidoyl chloride