4-tert-Butylcyclohexanecarbaldehyde

Base Information

• Chemical Name: 4-tert-Butylcyclohexanecarbaldehyde
• CAS No.: 20691-52-5
• Molecular Formula: C11H20O
• Molecular Weight: 168.279
• Hs Code.: 2912299000
• European Community (EC) Number: 243-974-4
• DSSTox Substance ID: DTXSID7066643
• Nikkaji Number: J1.653.134K,J1.653.135I,J225.305D
• Mol file: 20691-52-5.mol

Synonyms:20691-52-5;4-tert-Butylcyclohexanecarbaldehyde;4-tert-butylcyclohexane-1-carbaldehyde;Cyclohexanecarboxaldehyde, 4-(1,1-dimethylethyl)-;4-tert-Butyl-cyclohexanecarboxaldehyde;EINECS 243-974-4;4-(tert-butyl)cyclohexanecarbaldehyde;1-formyl-4-t-butylcyclohexane;SCHEMBL3188180;SCHEMBL5212274;DTXSID7066643;SCHEMBL14528068;SCHEMBL17728906;4-tert-butyl-cyclohexanecarbaldehyde;AKOS012322191;4 - tert - butylcyclohexanecarbaldehyde;Cyclohexanecarboxaldehyde, 4-tert-butyl-;4-tert.butyl-cyclohexane-1-carboxaldehyde;CS-0233472;(1s,4s)-4-(tert-Butyl)cyclohexanecarbaldehyde;4-(1,1-dimethylethyl)cyclohexanecarboxaldehyde;4beta-tert-Butylcyclohexane-1alpha-carbaldehyde;EN300-133782;4alpha-tert-Butylcyclohexane-1alpha-carbaldehyde;trans-4-(1,1-dimethylethyl)cyclohexanecarbaldehyde;A1-31700;A1-31701;trans-4-(1,1-dimethylethyl)cyclohexanecarboxaldehyde;Z1079442768

Chemical Property of 4-tert-Butylcyclohexanecarbaldehyde

Chemical Property:

• Vapor Pressure: 0.1mmHg at 25°C
• Boiling Point: 222.7°Cat760mmHg
• Flash Point: 75.3°C
• PSA: 17.07000
• Density: 0.938g/cm³
• LogP: 3.03780
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 168.151415257
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

4-Tert-Butylcyclohexanecarbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-tert-Butylcyclohexanecarbaldehyde

There total 9 articles about 4-tert-Butylcyclohexanecarbaldehyde 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%

4-tert-butylcyclohexanecarboxylic acid (5451-55-8) → 1-carboxaldehyde-4-(1,1-dimethylethyl)-cyclohexane (20691-52-5)

Guidance literature:

With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; 4,4'-Dimethoxy-2,2'-bipyridin; methylphenylsilane; acetic anhydride; In tetrahydrofuran; at 60 ℃; for 8h; Schlenk technique; Inert atmosphere;

Reference yield: 73.0%

2-(4-tert-Butyl-cyclohexyl)-benzo[1,3]dithiole (110166-50-2) → 1-carboxaldehyde-4-(1,1-dimethylethyl)-cyclohexane (20691-52-5)

Guidance literature:

With tetrafluoroboric acid; mercury(II) oxide; In tetrahydrofuran; for 0.166667h; Heating;

DOI:10.1055/s-1987-27857

Reference yield: 72.0%

4-t-Butylcyclohexan-1-oxiran-2-ylmethyltrimethylsilane (63830-88-6) → 1-carboxaldehyde-4-(1,1-dimethylethyl)-cyclohexane (20691-52-5)

Guidance literature:

With tetrahydrofuran; perchloric acid; at 20 ℃; for 4h;

DOI:10.1016/S0040-4020(01)88585-9

upstream raw materials:

4-t-Butylcyclohexan-1-oxiran-2-ylmethyltrimethylsilane

carbon monoxide

4-tert-butylcylohexene

Formic acid 4-tert-butyl-cyclohexylidenemethyl ester

Downstream raw materials:

trans-4-tert-Butylcyclohexanecarbonitrile

cis-4-tert-Butylcyclohexanecarbonitrile

cis/trans-4-tert-Butylcyclohexancarbonitril

Refernces

• 1、 -. "CCK ANALOGS WITH APPETITE REGULATING ACTIVITY". . . Retrieved 2008/06/13.
• 2、 Ceruti, Maurizio,Degani, Iacopo,Fochi, Rita. "A New Synthetic Application of 1,2-Benzodithiolium Cations: Synthesis of Aldehydes by 1-Carbon Homologation of Carbonyl Compounds". . p. 79 - 82. Retrieved 2007/10/02.