1-(4-Cyclohexylphenyl)ethanone

Base Information

• Chemical Name: 1-(4-Cyclohexylphenyl)ethanone
• CAS No.: 18594-05-3
• Molecular Formula: C14H18O
• Molecular Weight: 202.296
• Hs Code.: 29143900
• European Community (EC) Number: 242-432-4
• DSSTox Substance ID: DTXSID70171817
• Nikkaji Number: J132.621J
• Wikidata: Q72459809
• Mol file: 18594-05-3.mol

Synonyms:18594-05-3;1-(4-Cyclohexylphenyl)ethanone;4'-Cyclohexylacetophenone;1-(4-Cyclohexylphenyl)ethan-1-one;4-Cyclohexylacetophenone;Ethanone, 1-(4-cyclohexylphenyl)-;1-(4-cyclohexyl-phenyl)-ethanone;EINECS 242-432-4;MFCD00001453;p-cyclohexylacetophenone;4-cyclohexylace-tophenone;4'-cyclohexyl actephenone;4'-cyclohexyl acetophenone;4'-cyclohexyl-acetophenone;para-cyclohexyl-acetophenone;SCHEMBL967133;p-cyclohexylphenyl methyl ketone;1-(4-cyclohexylphenyl)-ethanone;4'-Cyclohexylacetophenone, 99%;MSDQNIRGPBARGC-UHFFFAOYSA-;DTXSID70171817;1-(4-Cyclohexylphenyl)ethanone #;STR04122;STL138370;AKOS000119331;CCG-301834;UPCMLD0ENAT5883753:001;BB 0221152;FT-0618317;EN300-20139;D87930;5-(DIMETHYLAMINO)-PENTANOICACIDHYDROCHLORIDE;J-011925;F0001-0670;Z104477036

Chemical Property of 1-(4-Cyclohexylphenyl)ethanone

Chemical Property:

• Appearance/Colour: white to yellow crystalline powder
• Vapor Pressure: 0.000412mmHg at 25°C
• Melting Point: 68-70 °C(lit.)
• Refractive Index: 1.526
• Boiling Point: 316.4 °C at 760 mmHg
• Flash Point: 138.2 °C
• PSA: 17.07000
• Density: 1 g/cm³
• LogP: 3.93690
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 202.135765193
• Heavy Atom Count: 15
• Complexity: 207

Purity/Quality:

98% ^*data from raw suppliers

4''-Cyclohexylacetophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)C2CCCCC2

Technology Process of 1-(4-Cyclohexylphenyl)ethanone

There total 43 articles about 1-(4-Cyclohexylphenyl)ethanone 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: 97.0%

1-(4-cyclohexyl-phenyl)-ethanone oxime (74067-99-5) → 4-cyclohexylacetophenone (18594-05-3)

Guidance literature:

With aluminum(III) nitrate nonahydrate; sodium bromide; In dichloromethane; at 20 ℃; for 2.66667h;

DOI:10.1016/j.cclet.2010.03.019

Reference yield: 92.0%

4-Iodoacetophenone (13329-40-3) + 1-cyclohexyl-2,4,6-triphenylpyridin-1-ium tetrafluoroborate salt → 4-cyclohexylacetophenone (18594-05-3)

Guidance literature:

With manganese; (1,2-dimethoxyethane)dichloronickel(II); In N,N-dimethyl acetamide; chemoselective reaction;

DOI:10.1039/c9sc00783k

Reference yield: 90.0%

4-Iodoacetophenone (13329-40-3) + 1,3-dioxoisoindolin-2-yl cyclohexanecarboxylate (126812-30-4) → 4-cyclohexylacetophenone (18594-05-3)

Guidance literature:

With chloro-trimethyl-silane; (1,2-dimethoxyethane)dichloronickel(II); pyridine-2-carboxamidine hydrochloride; 1-Bromo-2-chloroethane; zinc; In tetrahydrofuran; N,N-dimethyl acetamide; at 30 ℃; Inert atmosphere; Flow reactor;

DOI:10.1002/chem.201905048

upstream raw materials:

cyclohexyl acetate

1-bromocyclohexane

benzene

1-phenyl-1-cyclohexane

Downstream raw materials:

methyl 4-(4-cyclohexylphenyl)-2,4-dioxo-1-butanoate

α-metil-4-cicloesilbenzilammina

methyl 3-methyl-3-(4-cyclohexylphenyl)-glycidate

3-(4-nitrophenylamino)-3-cyclohexyl-1-(4-cyclohexyl-phenyl)-propan-1-one

Refernces

• 1、 Wei, Li-Pu,Xiao, Bin,Xu, Qing-Hao. "Alkyl-GeMe3: Neutral Metalloid Radical Precursors upon Visible-Light Photocatalysis". supporting information. . Retrieved 2022/02/17.
• 2、 Cao, Yuhui,Che, Jinteng,Chen, Han,Chen, Si-Cong,Fang, Xianhe,Guo, Yinliang,Guo, Zhixian,Kong, Lingran,Li, Chen,Lu, Jia-Tian,Luo, Tuoping,Zhang, Nan,Zhu, Qi. "Dealkenylative Ni-Catalyzed Cross-Coupling Enabled by Tetrazine and Photoexcitation". supporting information. p. 14046 - 14052. Retrieved 2021/09/13.