3-Cyclohexylpropanal

Base Information

• Chemical Name: 3-Cyclohexylpropanal
• CAS No.: 4361-28-8
• Molecular Formula: C9H16 O
• Molecular Weight: 140.225
• Hs Code.: 2912299000
• European Community (EC) Number: 224-446-2
• NSC Number: 20772
• UNII: DHT5VZP5ZF
• DSSTox Substance ID: DTXSID20195886
• Nikkaji Number: J205.744A
• Wikidata: Q83068944
• Mol file: 4361-28-8.mol

Synonyms:3-Cyclohexylpropanal;4361-28-8;Cyclohexanepropanal;Cyclohexanepropionaldehyde;3-Cyclohexylpropionaldehyde;DHT5VZP5ZF;EINECS 224-446-2;MFCD00012280;NSC-20772;3-cyclohexylpropan-1-al;NSC20772;NSC 20772;3-Cyclohexylpropanal #;UNII-DHT5VZP5ZF;3-cyclohexylpropanaldehyde;3-cyclohexylpropan-1 -al;3-cyclohexyl-propionaldehyde;SCHEMBL826390;DTXSID20195886;AKOS008968688;AT28904;3-Cyclohexylpropionaldehyde, AldrichCPR;FT-0665366;EN300-179906;A800993;A1-02983;Z57921395;[1,3-DIMETHYL-BUT-2-EN-(E)-YLIDENE]-PHENYL-AMINE

Chemical Property of 3-Cyclohexylpropanal

Chemical Property:

• Vapor Pressure: 0.425mmHg at 25°C
• Refractive Index: 1.4660 (estimate)
• Boiling Point: 195.2°Cat760mmHg
• Flash Point: 78.9°C
• PSA: 17.07000
• Density: 0.888g/cm³
• LogP: 2.54580
• Storage Temp.: -20°C Freezer
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 92.9

Purity/Quality:

99% ^*data from raw suppliers

3-Cyclohexylpropanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)CCC=O
• Uses: 3-Cyclohexylpropanal (cas# 4361-28-8) is a compound useful in organic synthesis.

Technology Process of 3-Cyclohexylpropanal

There total 34 articles about 3-Cyclohexylpropanal 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: 99.0%

3-cyclohexylpropan-1-ol (1124-63-6) → 3-cyclohexylpropanal (4361-28-8)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 23 ℃; for 0.5h; Inert atmosphere;

DOI:10.1002/anie.201602230

Reference yield: 84.0%

vinylcyclohexane (695-12-5,25498-06-0) + carbon monoxide (201230-82-2) → 3-cyclohexylpropanal (4361-28-8)

Guidance literature:

With hydrogen; (2-oxo-1,2-dihydro-6-pyridyl)diphenylphosphine; acetylacetonatodicarbonylrhodium(l); In tetrahydrofuran; at 22 ℃; for 20h; under 760 Torr;

DOI:10.1002/adsc.200505174

Reference yield: 77.0%

cyclohexyl-3 epoxy-1,2 propane (16529-03-6) → 3-cyclohexylpropanal (4361-28-8)

Guidance literature:

With 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; hexane; at 20 ℃; for 12h;

DOI:10.1039/c39940002103

upstream raw materials:

acrolein

cyclohexene

3-cyclohexyl-2-propen-1-ol

3-cyclohexylpropan-1-ol

Downstream raw materials:

4-cyclohexyl-2-hydroxy-butyramide

3-cyclohexyl-1-(2-methoxy-3-methyl-6-trimethylsilanyl-pyridin-4-yl)-propan-1-ol

1,1,1,3,3,3-hexafluoropropan-2-yl 3-cyclohexylpropanoate

Cyclohexylacetic acid

Refernces

• 1、 Li, Jie,Li, Ruoling,Yang, Wen,Zhao, Pei,Zhao, Wanxiang. "Rhodium-Catalyzed β-Dehydroborylation of Silyl Enol Ethers: Access to Highly Functionalized Enolates". . p. 9580 - 9585. Retrieved 2021/12/14.
• 2、 Komori, Saki,Yamaguchi, Yoshiko,Murakami, Yuka,Kataoka, Yasutaka,Ura, Yasuyuki. "Palladium/Copper-catalyzed Oxidation of Aliphatic Terminal Alkenes to Aldehydes Assisted by p-Benzoquinone". . p. 3946 - 3955. Retrieved 2020/07/06.