Cyclohexane, (ethynyloxy)-

Base Information

• Chemical Name: Cyclohexane, (ethynyloxy)-
• CAS No.: 68877-57-6
• Molecular Formula: C8H12O
• Molecular Weight: 124.183
• DSSTox Substance ID: DTXSID1071797
• Nikkaji Number: J1.602.767G
• Wikidata: Q81999589
• Mol file: 68877-57-6.mol

Synonyms:Ethynyloxycyclohexane;Cyclohexane, (ethynyloxy)-;68877-57-6;SCHEMBL666387;DTXSID1071797

Chemical Property of Cyclohexane, (ethynyloxy)-

Chemical Property:

• Vapor Pressure: 2.56mmHg at 25°C
• Boiling Point: 164.6°C at 760 mmHg
• Flash Point: 51.2°C
• Density: 0.92g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 114

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#COC1CCCCC1

Technology Process of Cyclohexane, (ethynyloxy)-

There total 6 articles about Cyclohexane, (ethynyloxy)- 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: 92.0%

chloro-trimethyl-silane (75-77-4) + (E)-1-Bromo-1-methoxy-4-methyl-pent-1-ene (309263-55-6) + (3S,8R,9S,10R,13S,14S)-3-(tert-Butyl-dimethyl-silanyloxy)-17-eth-(Z)-ylidene-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-cyclopenta[a]phenanthren-16-one (442631-19-8) → Cyclohexyl ethynyl ether (68877-57-6)

Guidance literature:

Multistep reaction.;

DOI:10.1021/ja012119t

Reference yield:

Trichloroethylene (79-01-6) + cyclohexanol (108-93-0) → Cyclohexyl ethynyl ether (68877-57-6)

Guidance literature:

With n-butyllithium; potassium hydride; ammonium chloride; Yield given. Multistep reaction; 1.) THF, room temperature, 1.5 h, 2.) -60 deg C to room temperature, 2 h, 3.) -78 deg C to -10 deg C, 2 h;

DOI:10.1021/jo9802168

Reference yield:

Chloroethynyloxy-cyclohexane → Cyclohexyl ethynyl ether (68877-57-6)

Guidance literature:

With n-butyllithium; water; Yield given. Multistep reaction;

DOI:10.1016/0040-4039(94)85199-9

upstream raw materials:

Trichloroethylene

cyclohexanol

chloro-trimethyl-silane

(E)-1-Bromo-1-methoxy-4-methyl-pent-1-ene

Downstream raw materials:

4-(cyclohexyloxy)-1-(methylsulfonyl)-1H-1,2,3-triazole

Acetic acid (3S,8R,9S,10R,13S,14S)-3-(tert-butyl-dimethyl-silanyloxy)-17-((Z)-(R)-2-cyclohexyloxy-1,5-dimethyl-hex-2-enyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl ester

Acetic acid (3S,8R,9S,10R,13S,14S)-3-(tert-butyl-dimethyl-silanyloxy)-17-((Z)-(S)-2-cyclohexyloxy-1,5-dimethyl-hex-2-enyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl ester

((E)-1-Bromo-4-methyl-pent-1-enyloxy)-cyclohexane