2-Propyn-1-one, 1-cyclohexyl-3-phenyl-

Base Information

• Chemical Name: 2-Propyn-1-one, 1-cyclohexyl-3-phenyl-
• CAS No.: 16616-46-9
• Molecular Formula: C15H16O
• Molecular Weight: 212.291
• DSSTox Substance ID: DTXSID10446839
• Nikkaji Number: J738.274J
• Wikidata: Q82265564
• Mol file: 16616-46-9.mol

Synonyms:2-Propyn-1-one, 1-cyclohexyl-3-phenyl-;1-CYCLOHEXYL-3-PHENYLPROP-2-YN-1-ONE;16616-46-9;Cyclohexyl(phenylethynyl) ketone;SCHEMBL22300671;DTXSID10446839

Chemical Property of 2-Propyn-1-one, 1-cyclohexyl-3-phenyl-

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 212.120115130
• Heavy Atom Count: 16
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)C(=O)C#CC2=CC=CC=C2

Technology Process of 2-Propyn-1-one, 1-cyclohexyl-3-phenyl-

There total 33 articles about 2-Propyn-1-one, 1-cyclohexyl-3-phenyl- 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-cyclohexyl-3-phenylprop-2-yn-1-ol (130708-23-5) → 1-cyclohexyl-3-phenylprop-2-yn-1-one (16616-46-9)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper(II) nitrate trihydrate; oxygen; In 1,2-dichloro-ethane; at 25 ℃; for 8h; Solvent;

Reference yield: 96.0%

phenylacetylene (536-74-3) + cyclohexanylcarbonyl chloride (2719-27-9) → 1-cyclohexyl-3-phenylprop-2-yn-1-one (16616-46-9)

Guidance literature:

With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; at 20 ℃; for 0.666667h;

DOI:10.1039/b414826f

Reference yield: 95.0%

N-methoxy-N-methylcyclohexanecarboxamide (80783-98-8) + lithium phenylacetylide (4440-01-1) → 1-cyclohexyl-3-phenylprop-2-yn-1-one (16616-46-9)

Guidance literature:

In tetrahydrofuran; pentane; at -50 ℃; for 1h;

DOI:10.1021/jo061223w

upstream raw materials:

phenylethynylmagnesium bromide

N-methoxy-N-methylcyclohexanecarboxamide

lithium phenylacetylide

1-cyclohexyl-3-phenylprop-2-yn-1-ol

Downstream raw materials:

(R)-8a-(but-3-enyl)-6-(cyclohexanecarbonyl)-5-phenyl-2,3,8,8a-tetrahydroindolizin-7(1H)-one

(R)-6-(cyclohexanecarbonyl)-5-phenyl-2,3,8,8a-tetrahydroindolizin-7(1H)-one

C₁₉H₂₄O

C₁₉H₂₄O