2-[(1-Ethynylcyclohexyl)oxy]tetrahydro-2H-pyran

Base Information

• Chemical Name: 2-[(1-Ethynylcyclohexyl)oxy]tetrahydro-2H-pyran
• CAS No.: 42969-66-4
• Molecular Formula: C13H20O2
• Molecular Weight: 208.301
• DSSTox Substance ID: DTXSID601240702
• Nikkaji Number: J1.984.536B
• Mol file: 42969-66-4.mol

Synonyms:SCHEMBL3484368;DTXSID601240702;42969-66-4;2-[(1-Ethynylcyclohexyl)oxy]tetrahydro-2H-pyran

Chemical Property of 2-[(1-Ethynylcyclohexyl)oxy]tetrahydro-2H-pyran

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 208.146329876
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1(CCCCC1)OC2CCCCO2

Technology Process of 2-[(1-Ethynylcyclohexyl)oxy]tetrahydro-2H-pyran

There total 3 articles about 2-[(1-Ethynylcyclohexyl)oxy]tetrahydro-2H-pyran 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: 98.0%

3,4-dihydro-2H-pyran (110-87-2) + 1-Ethynylcyclohexan-1-ol (78-27-3) → 2-(1-ethynyl-cyclohexyloxy)-tetrahydro-pyran (42969-66-4)

Guidance literature:

With N_.N'-bis[3,5-bis(trifluoromethyl)phenyl]thiourea; at 50 ℃; for 16h;

DOI:10.1055/s-2007-965917

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-(1-ethynyl-cyclohexyloxy)-tetrahydro-pyran (42969-66-4)

Guidance literature:

Multi-step reaction with 2 steps

2: pyridinium p-toluenesulfonate / dichloromethane / 16 h

With pyridinium p-toluenesulfonate; In dichloromethane;

DOI:10.1039/c1ob06297b

Reference yield:

→ 2-(1-ethynyl-cyclohexyloxy)-tetrahydro-pyran (42969-66-4)

Guidance literature:

Aus Dihydropyran u. 1-Aethinyl-cyclohexanol-(1) in Ggw. v. p-Toluolsulfonsaeure;

DOI:10.1021/jo01076a014

upstream raw materials:

3,4-dihydro-2H-pyran

1-Ethynylcyclohexan-1-ol

cyclohexanone

Downstream raw materials:

3-[1-((tetrahydro-2H-pyran-2-yl)oxy)cyclohexyl]prop-2-yn-1-ol

1-(2-<1-(Tetrahydropyran-2-yloxy)cyclohexyl>ethinyl)-1-cyclohexanol

N-(4-bromophenyl)-4-cyclohexyl-4-hydroxybut-2-ynamide

1-(1-butynyl)cyclohexanol