4-(Trifluoromethyl)cyclohexane-1-carbaldehyde

Base Information

• Chemical Name: 4-(Trifluoromethyl)cyclohexane-1-carbaldehyde
• CAS No.: 1073722-40-3
• Molecular Formula: C₈H₁₁F₃O
• Molecular Weight: 180.17
• European Community (EC) Number: 819-002-5
• Nikkaji Number: J1.570.093I

Synonyms:133261-34-4;4-(trifluoromethyl)cyclohexane-1-carbaldehyde;trans-4-(trifluoromethyl)cyclohexane-1-carbaldehyde;1073722-40-3;(1R,4r)-4-(trifluoromethyl)cyclohexanecarbaldehyde;trans-4-(trifluoromethyl)cyclohexanecarbaldehyde;4-(trifluoromethyl)cyclohexanecarbaldehyde;SCHEMBL9147693;SCHEMBL9148086;Cyclohexanecarboxaldehyde, 4-(trifluoromethyl)-, trans-;SCHEMBL16977824;ZYIWAPYAQGWZJE-KNVOCYPGSA-N;MFCD24677758;AKOS015258181;AT29351;AT29357;4-trifluoromethylcyclohexane carbaldehyde;DB-189541;trans-4-Trifluoromethyl-1-formylcyclohexane;CS-0056312;EN300-139764;P15703;A1-32435;A1-32436;CIS-4-(TRIFLUOROMETHYL)CYCLOHEXANE-1-CARBALDEHYDE;Z1268606377;1802680-44-9

Chemical Property of 4-(Trifluoromethyl)cyclohexane-1-carbaldehyde

Chemical Property:

• Boiling Point: 167.0±35.0 °C(Predicted)
• Density: 1.233±0.06 g/cm3(Predicted)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 180.07619946
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

4-(Trifluoromethyl)cyclohexane-1-carbaldehyde 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(CCC1C=O)C(F)(F)F

Technology Process of 4-(Trifluoromethyl)cyclohexane-1-carbaldehyde

There total 3 articles about 4-(Trifluoromethyl)cyclohexane-1-carbaldehyde 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: 72.0%

[4-(trifluoromethyl)cyclohexyl]methanol (883731-58-6) → 4-(trifluoromethyl)cyclohexane-1-carbaldehyde (1073722-40-3)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 20h;

Reference yield:

N-methoxy-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide → 4-(trifluoromethyl)cyclohexane-1-carbaldehyde (1073722-40-3)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; at -78 ℃; for 1h;

Reference yield:

trans-4-trifluoromethylcyclohexane carboxylic acid (95233-30-0) → 4-(trifluoromethyl)cyclohexane-1-carbaldehyde (1073722-40-3)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 1 h / 20 °C

2: diisobutylaluminium hydride / dichloromethane / 1 h / -78 °C

With diisobutylaluminium hydride; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

[4-(trifluoromethyl)cyclohexyl]methanol

trans-4-trifluoromethylcyclohexane carboxylic acid

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