Cyclohexane, (2-propynyloxy)-

Base Information

• Chemical Name: Cyclohexane, (2-propynyloxy)-
• CAS No.: 67967-07-1
• Molecular Formula: C9H14O
• Molecular Weight: 138.21
• DSSTox Substance ID: DTXSID70454899
• Nikkaji Number: J2.358.065I
• Wikidata: Q82276694
• Mol file: 67967-07-1.mol

Synonyms:Cyclohexane, (2-propynyloxy)-;67967-07-1;Prop-2-ynoxycyclohexane;(prop-2-yn-1-yloxy)cyclohexane;starbld0036604;Propargylcyclohexyl ether;prop-2-ynoxy-cyclohexane;(2-propynyloxy)cyclohexane;SCHEMBL5737479;DTXSID70454899;AKOS015906398;F2167-2802

Chemical Property of Cyclohexane, (2-propynyloxy)-

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 125

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: C#CCOC1CCCCC1

Technology Process of Cyclohexane, (2-propynyloxy)-

There total 6 articles about Cyclohexane, (2-propynyloxy)- 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: 87.0%

propargyl bromide (106-96-7) + cyclohexanol (108-93-0) → (prop-2-yn-1-yloxy)cyclohexane (67967-07-1)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; In tetrahydrofuran; hexane; at 20 ℃; for 1h;

DOI:10.1021/ol0609053

Reference yield: 73.0%

Prop-1-ynyloxy-cyclohexane (119760-58-6) → (prop-2-yn-1-yloxy)cyclohexane (67967-07-1)

Guidance literature:

With potassium salt of 1,3-diaminopropane; In hexane; for 1h; Ambient temperature;

DOI:10.1055/s-1988-27680

Reference yield: 61.0%

trans-1-Bromo-2-(2-propyn-1-yloxy)cyclohexane (71960-57-1,112701-86-7,150808-22-3) → (prop-2-yn-1-yloxy)cyclohexane (67967-07-1) + 3-methyleneoctahydrobenzofuran (75681-59-3)

Guidance literature:

With tri-n-butyl-tin hydride; In benzene; for 8h; Ambient temperature; Irradiation;

DOI:10.1039/a802024h

upstream raw materials:

sodium cyclohexanolate

propargyl bromide

Prop-1-ynyloxy-cyclohexane

trans-1-Bromo-2-(2-propyn-1-yloxy)cyclohexane

Downstream raw materials:

3-cyclohexyloxymethyl-4-iodo-1-methoxy-8-methyl-1H-pyrano[4,3-b]quinoline

C₂₀H₂₁NO₂

C₃₀H₃₁NO₂