4-Isopropenylcyclohexanone

Base Information

• Chemical Name: 4-Isopropenylcyclohexanone
• CAS No.: 22460-53-3
• Molecular Formula: C9H14O
• Molecular Weight: 138.21
• DSSTox Substance ID: DTXSID20338473
• Nikkaji Number: J1.740.998K
• Wikidata: Q82106865
• Mol file: 22460-53-3.mol

Synonyms:4-Isopropenylcyclohexanone;22460-53-3;Cyclohexanone, 4-(1-methylethenyl)-;4-prop-1-en-2-ylcyclohexan-1-one;4-isopropenyl-cyclohexanone;SCHEMBL8486388;DTXSID20338473;AKOS020762012

Chemical Property of 4-Isopropenylcyclohexanone

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 148

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Isopropenylcyclohexanone

There total 12 articles about 4-Isopropenylcyclohexanone 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:

methyl magnesium iodide (917-64-6) + ethyl 4-oxocyclohexane-1-carboxylate (17159-79-4) → cis-1,8-terpine (565-48-0,89923-77-3) + 4-isopropenylcyclohexanone (22460-53-3) + 4-hydroxy-4-methylcyclohexane-1-carboxylic acid (90113-41-0)

Guidance literature:

durch Behandlung nach Grignard_.Hydrolysis;

DOI:10.1039/CT9079100372

Reference yield:

1-trimethylsilyloxy-4-isopropenyl-1-cyclohexene (145747-47-3) → 4-isopropenylcyclohexanone (22460-53-3)

Guidance literature:

With methanol; In tetrahydrofuran; Yield given; Ambient temperature;

DOI:10.1021/jo00205a015

Reference yield:

(S)-(-)-perillaldehyde (18031-40-8) → 4-isopropenylcyclohexanone (22460-53-3)

Guidance literature:

With caro's acid; In methanol;

DOI:10.1246/bcsj.47.3173

upstream raw materials:

8-isopropenyl-1,4-dioxa-spiro[4.5]decane

Acetic acid 4-isopropenyl-cyclohex-1-enyl ester

C₁₅H₂₀N₂O₄S

Methylenetriphenylphosphorane

Downstream raw materials:

cis-1-hydroxy-4-isopropenylcyclohexanecarbonitrile

4-(2-methyl-oxiranyl)-cyclohexanone

C₉H₁₄O₃

cis-4-isopropenylcyclohexanol

Refernces

• 1、 -. "CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2". Page/Page column 102. . Retrieved 2012/01/06.
• 2、 -. "Substituted cycloalkylamino and cycloalkoxy heterocycles, processes for preparing them and their use as pesticides". . . Retrieved 2008/06/13.