1,1',1''-[Methanetriyltris(oxy)]tricyclohexane

Base Information

• Chemical Name: 1,1',1''-[Methanetriyltris(oxy)]tricyclohexane
• CAS No.: 89315-61-7
• Molecular Formula: C19H34O3
• Molecular Weight: 310.477
• DSSTox Substance ID: DTXSID60548812
• Wikidata: Q82427645
• Mol file: 89315-61-7.mol

Synonyms:89315-61-7;1,1',1''-[Methanetriyltris(oxy)]tricyclohexane;SCHEMBL6769883;DTXSID60548812

Chemical Property of 1,1',1''-[Methanetriyltris(oxy)]tricyclohexane

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 310.25079494
• Heavy Atom Count: 22
• Complexity: 242

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)OC(OC2CCCCC2)OC3CCCCC3

Technology Process of 1,1',1''-[Methanetriyltris(oxy)]tricyclohexane

There total 3 articles about 1,1',1''-[Methanetriyltris(oxy)]tricyclohexane 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: 30.0%

formamide (77287-34-4,77287-35-5,60100-09-6) + cyclohexanol (108-93-0) → tricyclohexyl orthoformate (89315-61-7)

Guidance literature:

With benzoyl chloride; In Petroleum ether; at 0 - 40 ℃; for 2h;

DOI:10.1016/j.tet.2016.03.002

Reference yield:

orthoformic acid triethyl ester (122-51-0) + cyclohexanol (108-93-0) → tricyclohexyl orthoformate (89315-61-7)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/jr9550003463

Reference yield:

cyclohexanol (108-93-0) → tricyclohexyl orthoformate (89315-61-7)

Guidance literature:

Multi-step reaction with 2 steps

2: P(OEt)3, MeI / diethyl ether

With triethyl phosphite; methyl iodide; In diethyl ether;

upstream raw materials:

orthoformic acid triethyl ester

cyclohexanol

formamide

Downstream raw materials:

((3-phenylpropane-1,1-diyl)bis(oxy))dicyclohexane

cyclohexanone dicyclohexyl acetal

estrone 3-cyclohexyl ether

cyclohexane

Refernces