Cyclohexanecarboxaldehyde

Base Information

• Chemical Name: Cyclohexanecarboxaldehyde
• CAS No.: 2043-61-0
• Molecular Formula: C7H12O
• Molecular Weight: 112.172
• Hs Code.: 29122990
• European Community (EC) Number: 218-057-7
• NSC Number: 68509
• UNII: SW0X317TE3
• DSSTox Substance ID: DTXSID40174375
• Nikkaji Number: J7.861A
• Wikidata: Q72459569
• Mol file: 2043-61-0.mol

Synonyms:cyclohexanaecarboxaldehyde;cyclohexanal

Chemical Property of Cyclohexanecarboxaldehyde

Chemical Property:

• Appearance/Colour: Clear colorless to faintly pink liquid
• Vapor Pressure: 2.5mmHg at 25°C
• Melting Point: 34-35 °C
• Refractive Index: 1.449 - 1.452
• Boiling Point: 159.5 °C at 760 mmHg
• Flash Point: 40.6 °C
• PSA: 17.07000
• Density: 0.992 g/cm³
• LogP: 1.76560
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble in chloroform, ether, alcohol. Slightly soluble in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 112.088815002
• Heavy Atom Count: 8
• Complexity: 72.5

Purity/Quality:

98.0%min ^*data from raw suppliers

Cyclohexanecarboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, F
• Hazard Codes: Xi,F
• Statements: 10-36/37/38-36
• Safety Statements: 16-26-36-37/39

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: C1CCC(CC1)C=O
• Uses: Cyclohexanecarboxaldehyde was used to study gas-phase microwave spectrum of cyclohexanecarboxaldehyde. It was used for the synthesis of poly(vinyl cyclohexanal). It was used as model substrate in the synthesis of propargylamines using Fe3O4 nanoparticles as catalyst. It was employed in an aldol reaction with ethyl diazoacetate catalyzed by basic, nanoparticulate magnesium oxide leading to α-diazo-β-hydroxyesters.

Technology Process of Cyclohexanecarboxaldehyde

There total 259 articles about Cyclohexanecarboxaldehyde 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: 94.0%

N-(Benzylidene)cyclohexylidenemethylamine (64244-35-5) → benzaldehyde (100-52-7) + cyclohexanecarbaldehyde (2043-61-0)

Guidance literature:

With hydrogenchloride; In dichloromethane; for 1h; Heating;

DOI:10.1021/jo00047a034

Reference yield: 62.0%

cyclohexanylcarbonyl chloride (2719-27-9) → cyclohexylmethyl alcohol (100-49-2) + cyclohexanecarbaldehyde (2043-61-0)

Guidance literature:

With tri-n-butyl-tin hydride; triphenylphosphine; indium(III) chloride; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1016/S0040-4039(99)02016-X

Reference yield: 20.0%

carbon dioxide (124-38-9,18923-20-1) + cyclohexene (110-83-8) → cyclohexylmethyl alcohol (100-49-2) + cyclohexanecarbaldehyde (2043-61-0)

Guidance literature:

With hydrogen; dicobalt octacarbonyl; dichlorotricarbonylruthenium(II) dimer; cetyltrimethylammonium chloride; In toluene; at 140 ℃; for 15h; Product distribution / selectivity;

upstream raw materials:

1-oxaspiro(2.5)octane

N-formyldiethylamine

cyclohexylmagnesiumchloride

5,6-dimethoxy-2-indolinone

Downstream raw materials:

3-cyclohexylacrylic acid

(bis-acetylamino-methyl)-cyclohexane

cyclohexylidenemethyl acetate

cyclohexylmethylamine

Refernces

• 1、 Prathap, Kaniraj Jeya,Maayan, Galia. "Metallopeptoids as efficient biomimetic catalysts". . p. 11096 - 11099. Retrieved 2015.
• 2、 Huang, Lin,Kawi, Sibudjing. "[{RhCl(CO)2}2]-Derived MCM-41-Tethered Rhodium Complex Catalysts via Phosphine, Amine and Thiol Ligands for Cyclohexene Hydroformylation". . p. 295 - 302. Retrieved 2004.
• 3、 Greene, Jodie F.,Preger, Yuliya,Stahl, Shannon S.,Root, Thatcher W.. "PTFE-Membrane Flow Reactor for Aerobic Oxidation Reactions and Its Application to Alcohol Oxidation". . p. 858 - 864. Retrieved 2015.
• 4、 Li, Zhongcheng,Chen, Chunhui,Zhan, Ensheng,Ta, Na,Shen, Wenjie. "Mo2N nanobelts for dehydrogenation of aromatic alcohols". . p. 58 - 62. Retrieved 2014.
• 5、 Wender et al.. "". . p. 5401. Retrieved 1956.
• 6、 Koning, A. J. De,Budzelaar, P. H. M.,Boersma, J.,Kerk, G. J. M. Van Der. "SPECIFIC AND SELECTIVE REDUCTION OF AROMATIC NITROGEN HETEROCYCLES WITH THE BIS-PYRIDINE COMPLEXES OF BIS(1,4-DIHYDRO-1-PYRIDYL)ZINC AND BIS(1,4-DIHYDRO-1-PYRIDYL)MAGNESIUM". . p. 153 - 170. Retrieved 1980.
• 7、 Du, Xin,Luan, Yi,Yang, Fengxia,Ramella, Daniele,Shu, Xin. "Picolinoyl functionalized MOF ligands for an air-promoted secondary alcohol oxidation with CuBr". . p. 4400 - 4405. Retrieved 2017.
• 8、 Fan, Juan,Pu, Fan,Sun, Man,Liu, Zhong-Wen,Han, Xiao-Yan,Wei, Jun-Fa,Shi, Xian-Ying. "Immobilized bis-layered ionic liquids/peroxotungstates as an efficient catalyst for selective oxidation of alcohols in neat water". . p. 10498 - 10503. Retrieved 2016.
• 9、 R?ben, Caren,Studer, Armido,Hemme, Wilhelm L.,Eckert, Hellmut. "Immobilization of TEMPO derivatives in saponite and use of these novel hybrid materials as reusable catalysts". . p. 1110 - 1114. Retrieved 2010.
• 10、 Newman. "-". . p. 378. Retrieved 1949.