4-Cyclohexylbenzaldehyde

Base Information

• Chemical Name: 4-Cyclohexylbenzaldehyde
• CAS No.: 27634-89-5
• Molecular Formula: C13H16 O
• Molecular Weight: 188.269
• Hs Code.: 2912299000
• European Community (EC) Number: 248-582-7
• UNII: 4358WXE988
• DSSTox Substance ID: DTXSID80182015
• Nikkaji Number: J250.563K
• Wikidata: Q83052672
• Mol file: 27634-89-5.mol

Synonyms:4-cyclohexylbenzaldehyde;27634-89-5;p-Cyclohexylbenzaldehyde;4-cyclohexyl-benzaldehyde;Benzaldehyde, 4-cyclohexyl-;EINECS 248-582-7;4358WXE988;AI3-26348;4-cyclohexylbenzaldehyd;4(Cyclohexyi)benzaidehyde;4-(Cyclohexyl)benzaldehyde;SCHEMBL547869;UNII-4358WXE988;DTXSID80182015;CBA63489;MFCD11111735;AS-58272;CS-0196299;FT-0717856;EN300-205313;W16407;A1-11533;Z385369942

Chemical Property of 4-Cyclohexylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.000651mmHg at 25°C
• Boiling Point: 309.1°Cat760mmHg
• Flash Point: 122.2°C
• PSA: 17.07000
• Density: 1.032g/cm³
• LogP: 3.54680
• Storage Temp.: 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

4-Cyclohexyl-benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=CC=C(C=C2)C=O

Technology Process of 4-Cyclohexylbenzaldehyde

There total 48 articles about 4-Cyclohexylbenzaldehyde 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: 90.0%

C15H19Cl → 4-cyclohexylbenzaldehyde (27634-89-5)

Guidance literature:

With iron(II) hexacyanoferrate(II); In water; at 120 ℃; for 6h;

Reference yield: 88.0%

4-bromo(cyclohexyl)benzene (25109-28-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-cyclohexylbenzaldehyde (27634-89-5)

Guidance literature:

4-bromo(cyclohexyl)benzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 - 20 ℃; for 24h;

DOI:10.1021/acsmedchemlett.5b00171

Reference yield: 87.0%

4-cyclohexylbenzyl chloride (4463-31-4) → 4-cyclohexylbenzaldehyde (27634-89-5)

Guidance literature:

With sodium hydrogencarbonate; potassium bromide; In dimethyl sulfoxide; at 100 ℃;

DOI:10.1016/j.bmcl.2015.04.038

upstream raw materials:

4-cyclohexylbenzyl chloride

2,2,2-trichloro-1-(4-cyclohexyl-phenyl)-ethanol

4-cyclohexyl-benzaldehyde diethylacetal

carbon monoxide

Downstream raw materials:

4-(4-Cyclohexyl-benzylamino)-benzoic acid

ethyl 4-((4-cyclohexylbenzyl)amino)benzoate

(4-Cyclohexyl-phenyl)-(3-methyl-isothiazol-5-yl)-methanol

1-(4-cicloesilfenil)-2-nitropropene

Refernces

• 1、 Ye, Ning,Wu, Bin,Zhao, Kangming,Ge, Xiaobin,Zheng, Yu,Shen, Xiaodong,Shi, Lei,Cortes-Clerget, Margery,Regnier, Morgan Louis,Parmentier, Michael,Gallou, Fabrice. "Micelle enabled C(sp2)-C(sp3) cross-electrophile coupling in waterviasynergistic nickel and copper catalysis". supporting information. p. 7629 - 7632. Retrieved 2021/08/09.
• 2、 -. "COMPOSITION FOR FORMING RESIST UNDERLAYER FILM AND METHOD FOR FORMING PATTERN". Paragraph 0131-0133. . Retrieved 2020/04/29.