3-Triethoxycholesterol

Base Information

• Chemical Name: 3-Triethoxycholesterol
• CAS No.: 75014-44-7
• Molecular Formula: C33H58 O4
• Molecular Weight: 518.821
• DSSTox Substance ID: DTXSID70996522
• Nikkaji Number: J1.133.825I
• Wikidata: Q82988332
• Mol file: 75014-44-7.mol

Synonyms:3-TEC;3-triethoxycholesterol

Chemical Property of 3-Triethoxycholesterol

Chemical Property:

• Vapor Pressure: 1.54E-16mmHg at 25°C
• Boiling Point: 593.1°C at 760 mmHg
• Flash Point: 312.5°C
• PSA: 47.92000
• Density: 1.02g/cm³
• LogP: 7.43850
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 518.43351033
• Heavy Atom Count: 37
• Complexity: 734

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OCCOCCOCCO)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=C4[C@@]3(CC[C@@H](C4)OCCOCCOCCO)C)C

Technology Process of 3-Triethoxycholesterol

There total 7 articles about 3-Triethoxycholesterol 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: 90.0%

cholesteryl p-toluenesulfonate (1182-65-6,3381-56-4) + 2,2'-[1,2-ethanediylbis(oxy)]bisethanol (112-27-6) → 8-(cholest-5-en-3β-yloxy)-3,6-dioxaoctane-1-ol (75014-44-7)

Guidance literature:

In 1,4-dioxane; for 4h; Heating;

Reference yield: 83.0%

cholesterol mesylate (3381-54-2) + 2,2'-[1,2-ethanediylbis(oxy)]bisethanol (112-27-6) → 8-(cholest-5-en-3β-yloxy)-3,6-dioxaoctane-1-ol (75014-44-7)

Guidance literature:

In 1,4-dioxane; at 110 ℃; for 1h; Inert atmosphere;

Reference yield:

cholesterol (57-88-5) → 8-(cholest-5-en-3β-yloxy)-3,6-dioxaoctane-1-ol (75014-44-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / pyridine / 6 h / 0 °C

2: 90 percent / dioxane / 4 h / Heating

With pyridine; In 1,4-dioxane;

upstream raw materials:

cholesteryl p-toluenesulfonate

2,2'-[1,2-ethanediylbis(oxy)]bisethanol

cholesterol

2-(2-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate

Downstream raw materials:

C₅₅H₇₂O₈

C₆₆H₈₆N₂O₁₁

C₆₂H₇₈N₂O₁₁

8-(cholest-5-en-3β-yloxy)-3,6-dioxaoctyl 3-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-2-azido-4,6-O-benzylidene-2-deoxy-α-D-galactopyranoside