1-Pentanone, 1-(1-cyclohexen-1-yl)-

Base Information

• Chemical Name: 1-Pentanone, 1-(1-cyclohexen-1-yl)-
• CAS No.: 30857-54-6
• Molecular Formula: C11H18O
• Molecular Weight: 166.263
• DSSTox Substance ID: DTXSID40447990
• Nikkaji Number: J662.198H
• Wikidata: Q82266897
• Mol file: 30857-54-6.mol

Synonyms:30857-54-6;1-Pentanone, 1-(1-cyclohexen-1-yl)-;(1-Cyclohexenyl)butyl ketone;SCHEMBL9070544;DTXSID40447990;1-(cyclohex-1-enyl)pentan-1-one;AKOS011359352

Chemical Property of 1-Pentanone, 1-(1-cyclohexen-1-yl)-

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 166.135765193
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)C1=CCCCC1

Technology Process of 1-Pentanone, 1-(1-cyclohexen-1-yl)-

There total 10 articles about 1-Pentanone, 1-(1-cyclohexen-1-yl)- 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: 76.0%

1-Cyclohex-1-enyl-5-phenylselanyl-pentan-1-one (114827-65-5) → 1-(1-cyclohexenyl)pentan-1-one (30857-54-6) + decahydro-5H-benzacyclohepten-5-one (84751-66-6)

Guidance literature:

With azobisisobutyronitrile; tri-n-butyl-tin hydride; In benzene; Heating;

DOI:10.1246/cl.1987.1949

Reference yield: 49.0%

n-valeryl chloride (638-29-9) + cyclohexene (110-83-8) → 1-(1-cyclohexenyl)pentan-1-one (30857-54-6)

Guidance literature:

In tetrachloromethane;

DOI:10.1134/S107042800902002X

Reference yield:

1-(cyclohex-1-en-1-yl)pentan-1-ol (745820-32-0) → 1-(1-cyclohexenyl)pentan-1-one (30857-54-6)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [bis(acetoxy)iodo]benzene; In dichloromethane; at 20 ℃;

DOI:10.1021/jo4012249

upstream raw materials:

n-valeryl chloride

cyclohexene

n-butyllithium

cyclohex-1-enecarbonitrile

Downstream raw materials:

1-(1,2-dichlorocyclohexyl)pentan-1-one

1-(1,2-dibromocyclohexyl)pentan-1-one

(1-cyclohex-1-enylpentylidene)phenylamine

trans-1-(4-fenilcicloesil)-1-pentanone