[(2-Ethynylcyclohex-1-en-1-yl)ethynyl]benzene

Base Information

• Chemical Name: [(2-Ethynylcyclohex-1-en-1-yl)ethynyl]benzene
• CAS No.: 303142-40-7
• Molecular Formula: C16H14
• Molecular Weight: 206.287
• DSSTox Substance ID: DTXSID20573084
• Nikkaji Number: J1.444.395I
• Wikidata: Q82461669
• Mol file: 303142-40-7.mol

Synonyms:303142-40-7;[(2-Ethynylcyclohex-1-en-1-yl)ethynyl]benzene;DTXSID20573084

Chemical Property of [(2-Ethynylcyclohex-1-en-1-yl)ethynyl]benzene

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 206.109550447
• Heavy Atom Count: 16
• Complexity: 382

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=C(CCCC1)C#CC2=CC=CC=C2

Technology Process of [(2-Ethynylcyclohex-1-en-1-yl)ethynyl]benzene

There total 10 articles about [(2-Ethynylcyclohex-1-en-1-yl)ethynyl]benzene 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%

2-ethynyl-1-phenylethynyl-cyclohexanol (437608-26-9) → 1-(1-ethynyl)-2-(2-phenyl-1-ethynyl)-1-cyclohexene (303142-40-7)

Guidance literature:

2-ethynyl-1-phenylethynyl-cyclohexanol; With methanesulfonyl chloride; triethylamine; In dichloromethane; at 0 ℃; for 0.25h;

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃; for 12h; Further stages.;

DOI:10.1021/ja012146j

Reference yield: 85.0%

triisopropyl-2-[2-(2-phenyl-1-ethynyl)-1-cyclohexenyl]-1-ethynylsilane (303142-39-4) → 1-(1-ethynyl)-2-(2-phenyl-1-ethynyl)-1-cyclohexene (303142-40-7)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃; for 20h;

DOI:10.1021/jo051403q

Reference yield: 83.0%

[2-(2,2-dibromo-vinyl)-cyclohex-1-enylethynyl]-benzene (911708-72-0) → 1-(1-ethynyl)-2-(2-phenyl-1-ethynyl)-1-cyclohexene (303142-40-7)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at 28 ℃; for 2h;

DOI:10.1021/ja0643826

upstream raw materials:

triisopropyl-2-[2-(2-phenyl-1-ethynyl)-1-cyclohexenyl]-1-ethynylsilane

2-ethynyl-1-phenylethynyl-cyclohexanol

[2-(2,2-dibromo-vinyl)-cyclohex-1-enylethynyl]-benzene

2-(phenylacetylenyl)cyclohex-1-enecarbaldehyde

Downstream raw materials:

methyl 6-(3-(2-[2-(2-phenyl-1-ethynyl)-1-cyclohexenyl]-1-ethynyl)-phenyl)-5-hexynoate

(cyclohexene-1,2-diyl-bisethynyl)-bisbenzene

3-(cyclohex-1-enyl)prop-2-yn-1-ol

1-(phenylethynyl)-2-((3-ethynylphenyl)ethynyl)cyclohexene