Cyclohexanone, 2-[2-(4-chlorophenyl)-2-oxoethyl]-

Base Information

• Chemical Name: Cyclohexanone, 2-[2-(4-chlorophenyl)-2-oxoethyl]-
• CAS No.: 54669-80-6
• Molecular Formula: C14H15ClO2
• Molecular Weight: 250.725
• DSSTox Substance ID: DTXSID10483360
• Nikkaji Number: J2.844.235A

Synonyms:54669-80-6;Cyclohexanone, 2-[2-(4-chlorophenyl)-2-oxoethyl]-;SCHEMBL11839685;DTXSID10483360;LCPNLHHHNVWPAD-UHFFFAOYSA-N;2-(p-chloro-phenacyl)cyclohexanone

Chemical Property of Cyclohexanone, 2-[2-(4-chlorophenyl)-2-oxoethyl]-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 250.0760574
• Heavy Atom Count: 17
• Complexity: 293

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)CC(=O)C2=CC=C(C=C2)Cl

Technology Process of Cyclohexanone, 2-[2-(4-chlorophenyl)-2-oxoethyl]-

There total 7 articles about Cyclohexanone, 2-[2-(4-chlorophenyl)-2-oxoethyl]- 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: 62.0%

4-vinylbenzyl chloride (1073-67-2,24991-47-7) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-(4-chlorophenacyl)cyclohexanone (54669-80-6)

Guidance literature:

cyclohexanone; With pyrrolidine hydrochloride; In water; N,N-dimethyl-formamide; at 70 ℃;

4-vinylbenzyl chloride; With manganese(IV) oxide; copper(II) perchlorate hexahydrate; In water; N,N-dimethyl-formamide; at 70 ℃; for 48h;

DOI:10.1039/b921310d

Reference yield:

1-(1-Cyclohexen-1-yl)pyrrolidine (1125-99-1) + 4-chlorobenzoylmethyl bromide (536-38-9) → 2-(4-chlorophenacyl)cyclohexanone (54669-80-6)

Guidance literature:

Multistep reaction; (i), (ii) H₂O;

DOI:10.1021/jm00224a023

Reference yield:

1-(1-Cyclohexen-1-yl)pyrrolidine (1125-99-1) + ether-petroleum ether + 4-chlorobenzoylmethyl bromide (536-38-9) → 2-(4-chlorophenacyl)cyclohexanone (54669-80-6)

Guidance literature:

upstream raw materials:

1-(1-Cyclohexen-1-yl)pyrrolidine

4-chlorobenzoylmethyl bromide

4-vinylbenzyl chloride

cyclohexanone

Downstream raw materials:

2-p-chlorophenyl-4,5,6,7-tetrahydrothiophene

4-[2-(4-Chloro-phenyl)-4,5,6,7-tetrahydro-indol-1-yl]-phenol

2-(p-chlorophenyl)-4,5,6,7-tetrahydroindole

1-(3-Carboxy-4-hydroxyphenyl)-2-(4-chlorophenyl)-4,5,6,7-tetrahydroindole

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