4-Penten-1-one, 1-cyclohexyl-

Base Information

• Chemical Name: 4-Penten-1-one, 1-cyclohexyl-
• CAS No.: 59304-49-3
• Molecular Formula: C11H18O
• Molecular Weight: 166.263
• DSSTox Substance ID: DTXSID00464668
• Nikkaji Number: J351.131F
• Wikidata: Q82290089
• Mol file: 59304-49-3.mol

Synonyms:4-Penten-1-one, 1-cyclohexyl-;59304-49-3;DTXSID00464668;AKOS013637703

Chemical Property of 4-Penten-1-one, 1-cyclohexyl-

Chemical Property:

• PSA: 17.07000
• LogP: 3.10200
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 166.135765193
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCC(=O)C1CCCCC1

Technology Process of 4-Penten-1-one, 1-cyclohexyl-

There total 8 articles about 4-Penten-1-one, 1-cyclohexyl- 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%

4-but-1-enylmagnesium bromide (7103-09-5) + cyclohexanylcarbonyl chloride (2719-27-9) → 1-cyclohexyl-4-penten-1-one (59304-49-3)

Guidance literature:

With copper(l) iodide; In tetrahydrofuran; at -15 - 23 ℃;

DOI:10.1002/anie.201706198

Reference yield: 80.0%

4-but-1-enylmagnesium bromide (7103-09-5) + N-methoxy-N-methylcyclohexanecarboxamide (80783-98-8) → 1-cyclohexyl-4-penten-1-one (59304-49-3)

Guidance literature:

In tetrahydrofuran; at -78 ℃; Inert atmosphere;

DOI:10.1021/jo802629w

Reference yield: 76.0%

Cyclohexyl-(2-hydroxymethyl-cyclopropyl)-methanone → 1-cyclohexyl-4-penten-1-one (59304-49-3)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; samarium diiodide; In tetrahydrofuran; Ambient temperature;

DOI:10.1016/S0040-4039(98)00063-X

upstream raw materials:

4-but-1-enylmagnesium bromide

Cyclohexyl Methylenecyclopropyl Ketone

cyclohexanecarboxylic acid Li-salt

N-methoxy-N-methylcyclohexanecarboxamide

Downstream raw materials:

4-cyclohexyl-2-methylocta-1,7-dien-4-ol

4-cyclohexyl-3-methylocta-1,7-dien-4-ol

4-cyclohexylocta-1,7-dien-4-ol

(1-cyclohexylpent-4-en-1-yl)amine