3-Isopropenylcyclohexanone

Base Information

• Chemical Name: 3-Isopropenylcyclohexanone
• CAS No.: 6611-97-8
• Molecular Formula: C9H14O
• Molecular Weight: 138.21
• DSSTox Substance ID: DTXSID30502926
• Nikkaji Number: J1.525.465C
• Mol file: 6611-97-8.mol

Synonyms:3-isopropenylcyclohexanone;6611-97-8;(S)-3-(Prop-1-en-2-yl)cyclohexanone;3-isopropenyl-cyclohexan-1-one;SCHEMBL14104952;DTXSID30502926;AKOS015906878;3-(Prop-1-en-2-yl)cyclohexan-1-one

Chemical Property of 3-Isopropenylcyclohexanone

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C1CCCC(=O)C1

Technology Process of 3-Isopropenylcyclohexanone

There total 6 articles about 3-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: 75.0%

[2-(hydroxymethyl)phenyl]dimethyl(propen-2-yl)silane (853955-65-4) + cyclohexenone (930-68-7) → 3-(1-propen-2-yl)cyclohexanone (6611-97-8)

Guidance literature:

[Rh(OH)(cod)]2; In tetrahydrofuran; at 35 ℃; for 3h;

DOI:10.1021/ja071969r

Reference yield: 50.0%

cyclohexenone (930-68-7) + isopropenylmagnesium bromide (13291-18-4) → 3-(1-propen-2-yl)cyclohexanone (6611-97-8)

Guidance literature:

isopropenylmagnesium bromide; With copper(l) iodide; In tetrahydrofuran; at -78 ℃; for 1.5h;

cyclohexenone; In tetrahydrofuran; at -78 ℃; for 1.5h;

DOI:10.1016/j.bioorg.2019.103020

Reference yield:

7-isopropenyl-1,4-dioxa-spiro[4.5]decane (22274-80-2) → 3-(1-propen-2-yl)cyclohexanone (6611-97-8)

Guidance literature:

With toluene-4-sulfonic acid; In water; acetone;

upstream raw materials:

cyclohexenone

2-bromoprop-1-ene

isopropenylmagnesium bromide

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

Downstream raw materials:

6-Hydroxymethylen-3-isopropenyl-cyclohexanon

[3-Isopropenyl-cyclohex-(Z)-ylidene]-acetic acid ethyl ester

meta-mentha-1⁽⁷⁾,8-diene

3-(1-methylethenyl)cyclohexanone p-tosylhydrazone