1-Cyclohexyl-1-butyne

Base Information

• Chemical Name: 1-Cyclohexyl-1-butyne
• CAS No.: 57497-06-0
• Molecular Formula: C10H16
• Molecular Weight: 136.23
• DSSTox Substance ID: DTXSID90462178
• Wikidata: Q82286673
• Mol file: 57497-06-0.mol

Synonyms:1-CYCLOHEXYL-1-BUTYNE;57497-06-0;But-1-ynylcyclohexane;(but-1-yn-1-yl)cyclohexane;but-1-ynyl-cyclohexane;DTXSID90462178;AKOS006274048;FT-0693104

Chemical Property of 1-Cyclohexyl-1-butyne

Chemical Property:

• PSA: 0.00000
• LogP: 2.98010
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 136.125200510
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

1-CYCLOHEXYL-1-BUTYNE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC#CC1CCCCC1

Technology Process of 1-Cyclohexyl-1-butyne

There total 3 articles about 1-Cyclohexyl-1-butyne 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: 100.0%

1-(1-butynyl)cyclohexanol (15332-34-0) → 1-(1-butynyl)cyclohexane (57497-06-0)

Guidance literature:

With dicobalt octacarbonyl; borane-THF; ferric nitrate; trifluoroacetic acid; Product distribution; other hydride reagents, other acid, other decomplexation regent;

Reference yield: 72.0%

2-cyclohexylacetylene (931-48-6) + ethyl iodide (75-03-6) → 1-(1-butynyl)cyclohexane (57497-06-0)

Guidance literature:

2-cyclohexylacetylene; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 0.583333h; Inert atmosphere;

ethyl iodide; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1021/jacs.7b04583

Reference yield:

1-Brom-2-methyl-3-cyclohexylpropen (57497-05-9) → 1-(1-butynyl)cyclohexane (57497-06-0) + but-2-ynyl-cyclohexane (57497-07-1) + 1-cyclohexyl-2-methylenecyclopropane (57497-09-3) + cis-8-Methylbicyclo<4.3.0>non-7-ene (57497-08-2)

Guidance literature:

With potassium tert-butylate;

DOI:10.1021/jo00867a001

upstream raw materials:

1-Brom-2-methyl-3-cyclohexylpropen

1-(1-butynyl)cyclohexanol

2-cyclohexylacetylene

ethyl iodide