3-[trans-4-(p-Cyanophenyl)cyclohexyl]propionaldehyde

Base Information

Chemical Name:3-[trans-4-(p-Cyanophenyl)cyclohexyl]propionaldehyde
CAS No.:96184-92-8
Molecular Formula:C₁₆H₁₉NO
Molecular Weight:241.333
Hs Code.:
European Community (EC) Number:619-198-0
DSSTox Substance ID:DTXSID401217492

Synonyms:3-[trans-4-(p-cyanophenyl)cyclohexyl]propionaldehyde;SCHEMBL2277177;SCHEMBL2277181;GLPRRPVEFLLWHE-CTYIDZIISA-N;DTXSID401217492;96184-92-8;3-[trans-4-(4-cyanophenyl)cyclohexyl]-1-propanal;3-[trans-4-(p-cyanophenyl)cyclohexyl] propionaldehyde;Benzonitrile, 4-[4-(3-oxopropyl)cyclohexyl]-, trans-

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Chemical Property of 3-[trans-4-(p-Cyanophenyl)cyclohexyl]propionaldehyde

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:241.146664230
Heavy Atom Count:18
Complexity:300

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(CCC1CCC=O)C2=CC=C(C=C2)C#N

Technology Process of 3-[trans-4-(p-Cyanophenyl)cyclohexyl]propionaldehyde

There total 6 articles about 3-[trans-4-(p-Cyanophenyl)cyclohexyl]propionaldehyde 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:

: p-[trans-4-(3-methoxy-2-propenyl)cyclohexyl]benzonitrile

: 96184-92-8
3-[trans-4-(p-cyanophenyl)cyclohexyl]propionaldehyde

Guidance literature:: With hydrogenchloride; In tetrahydrofuran; water;

Reference yield:

: 95925-52-3
p-[4-(methoxymethylene)cyclohexyl]benzonitrile

: 96184-92-8
3-[trans-4-(p-cyanophenyl)cyclohexyl]propionaldehyde

Guidance literature:: Multi-step reaction with 3 steps

1: 29 percent / 2N HCl / tetrahydrofuran / 0.5 h / Heating

2: 1.) t-BuOK; 2.) 2N HCl / 1.) t-butyl methyl ether, -10 deg C - RT, 165 min; 2.) THF, reflux, 30 min

3: 1.) t-BuOK; 2.) 2N HCl / 1.) t-butyl methyl ether, -10 deg C - RT, 165 min; 2.) THF, reflux, 30 min

With hydrogenchloride; potassium tert-butylate; In tetrahydrofuran;

Reference yield:

: 73204-07-6
4-(4-cyanophenyl)cyclohexanone

: 96184-92-8
3-[trans-4-(p-cyanophenyl)cyclohexyl]propionaldehyde

Guidance literature:: Multi-step reaction with 4 steps

1: 94 percent / t-BuOK / various solvent(s); tetrahydrofuran / 2.75 h / -10 - 25 °C

2: 29 percent / 2N HCl / tetrahydrofuran / 0.5 h / Heating

3: 1.) t-BuOK; 2.) 2N HCl / 1.) t-butyl methyl ether, -10 deg C - RT, 165 min; 2.) THF, reflux, 30 min

4: 1.) t-BuOK; 2.) 2N HCl / 1.) t-butyl methyl ether, -10 deg C - RT, 165 min; 2.) THF, reflux, 30 min

With hydrogenchloride; potassium tert-butylate; In tetrahydrofuran;