3-Chlorophenyl cyclohexyl ketone

Base Information

• Chemical Name: 3-Chlorophenyl cyclohexyl ketone
• CAS No.: 211985-77-2
• Molecular Formula: C13H15ClO
• Molecular Weight: 222.715
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID60469255
• Nikkaji Number: J1.058.903G
• Wikidata: Q82296886
• Mol file: 211985-77-2.mol

Synonyms:3-CHLOROPHENYL CYCLOHEXYL KETONE;211985-77-2;(3-chlorophenyl)-cyclohexylmethanone;(3-chlorophenyl)(cyclohexyl)methanone;(3-chlorophenyl)cyclohexylmethanone;MFCD03841352;3-CHLOROPHENYLCYCLOHEXYLKETONE;SCHEMBL2080623;DTXSID60469255;UCXGEGZHQMRFHV-UHFFFAOYSA-N;AKOS010013909;EN300-108254;Z513733462

Chemical Property of 3-Chlorophenyl cyclohexyl ketone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 335.865oC at 760 mmHg
• Flash Point: 185.991oC
• PSA: 17.07000
• Density: 1.14g/cm3
• LogP: 4.10300
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 222.0811428
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

3-Chlorophenylcyclohexylketone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Chlorophenyl cyclohexyl ketone

There total 9 articles about 3-Chlorophenyl cyclohexyl ketone 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%

3-chloro-benzonitrile (766-84-7) + cyclohexylmagnesiumchloride (931-51-1) → (3-chlorophenyl)(cyclohexyl)methanone (211985-77-2)

Guidance literature:

3-chloro-benzonitrile; cyclohexylmagnesiumchloride; copper(l) chloride; In tetrahydrofuran; diethyl ether; for 0.5h; Heating / reflux;

With hydrogenchloride; In tetrahydrofuran; diethyl ether; water; at 20 ℃;

With water; hydrogenchloride; at 90 ℃; for 1h;

Reference yield: 59.0%

cyclohexane (110-82-7,25012-93-5) + carbon monoxide (201230-82-2) + m-chlorophenyltrimethylsilane (4405-42-9) → (3-chlorophenyl)(cyclohexyl)methanone (211985-77-2)

Guidance literature:

With aluminum tri-bromide; 1,1-dibromomethane; In tetrachloromethane; at 0 ℃;

DOI:10.1007/BF02498161

Reference yield: 41.0%

cyclohexane (110-82-7,25012-93-5) + m-Chlorobenzaldehyde (587-04-2) → (3-chlorophenyl)(cyclohexyl)methanone (211985-77-2)

Guidance literature:

With di-tert-butyl peroxide; at 180 ℃; for 1h; Microwave irradiation; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.joc.5b01824

upstream raw materials:

cyclohexane

carbon monoxide

m-chlorophenyltrimethylsilane

(3-chlorophenyl)-cyclohexyl methanol

Downstream raw materials:

(5-chloro-2-nitrophenyl)cyclohexylmethanone

3-(3-chloro-phenyl)-3-cyclohexyl-3-hydroxy-1-piperidin-1-yl-propan-1-one

Refernces

• 1、 -. "A ketone the synthetic method of the compound of (by machine translation)". Paragraph 0039-0041. . Retrieved 2017/01/05.
• 2、 -. "Control of parasites in animals by the use of novel trifluoromethanesulfonanilide oxime ether derivatives". Page/Page column 34; 8/12. . Retrieved 2010/10/20.