Cholesterin ethyl ether

Base Information

• Chemical Name: Cholesterin ethyl ether
• CAS No.: 986-19-6
• Molecular Formula: C29H50 O
• Molecular Weight: 414.715
• NSC Number: 95436
• DSSTox Substance ID: DTXSID90913170
• Nikkaji Number: J145.065D
• Wikidata: Q82883716
• Mol file: 986-19-6.mol

Synonyms:Cholesterin ethyl ether;986-19-6;Cholesteryl ethyl ether;Cholest-5-ene, 3.beta.-ethoxy-;(3S,8S,9S,10R,13R,14S,17R)-3-ethoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;cholesterol ethyl ether;3-Ethoxycholest-5-ene;Cholest-5-ene, 3-ethoxy-, (3.beta.)-;3-Ethoxycholest-5-ene #;SCHEMBL4786687;DTXSID90913170;HVJCKZFYZWPQOO-AXYOXNHISA-N;Cholest-5-ene,3-ethoxy-,(3b)-;NSC95436;NSC-95436;Cholest-5-en-3.beta.-yl-ethyl ether

Chemical Property of Cholesterin ethyl ether

Chemical Property:

• Vapor Pressure: 5.27E-09mmHg at 25°C
• Boiling Point: 482.6 °C at 760 mmHg
• Flash Point: 246.9 °C
• PSA: 9.23000
• Density: 0.95 g/cm³
• LogP: 8.43290
• Storage Temp.: −20°C
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 414.386166214
• Heavy Atom Count: 30
• Complexity: 620

Purity/Quality:

99% ^*data from raw suppliers

5-CHOLESTEN-3BETA-OL-3-ETHYLETHER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
• Isomeric SMILES: CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

Technology Process of Cholesterin ethyl ether

There total 3 articles about Cholesterin ethyl ether 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:

chloroform (67-66-3,8013-54-5) + cholesterol (57-88-5) + ethyl metaphosphate (4697-37-4) → ethyl phosphate (1623-14-9) + 3-ethylcholesterol (986-19-6) + cholesteryl phosphate (4358-16-1)

Guidance literature:

Behandeln des in Aether geloesten Reaktionsprodukts mit Wasser;

Reference yield:

(3S,8S,9S,10R,13R,14S,17R)-3-Bromo-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (516-91-6) → 3-ethylcholesterol (986-19-6) + cholest-5-en-3β-yl thiocyanate (1253-98-1)

Guidance literature:

With ethanol;

Reference yield:

ethanol (64-17-5) + (3S,8S,9S,10R,13R,14S,17R)-3-Bromo-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (516-91-6) → 3-ethylcholesterol (986-19-6) + cholest-5-en-3β-yl thiocyanate (1253-98-1)

Guidance literature:

upstream raw materials:

chloroform

cholesterol

ethyl metaphosphate

ethanol

Downstream raw materials:

3'-phenylcholestano<5,6-d>-2'-isoxazolin-3β-ethyl ether

Cholesteryl acetate

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