2-Chlorophenyl cyclopentyl ketone

Base Information

• Chemical Name: 2-Chlorophenyl cyclopentyl ketone
• CAS No.: 6740-85-8
• Molecular Formula: C12H13ClO
• Molecular Weight: 208.688
• Hs Code.: 2914399014
• European Community (EC) Number: 229-802-0
• UNII: AEU83T8UK8
• DSSTox Substance ID: DTXSID00217757
• Nikkaji Number: J298.094K
• Wikidata: Q72456709
• Mol file: 6740-85-8.mol

Synonyms:2-Chlorophenyl cyclopentyl ketone;6740-85-8;(2-Chlorophenyl)(cyclopentyl)methanone;(2-chlorophenyl)-cyclopentylmethanone;o-Chlorophenyl cyclopentyl ketone;2-Chlorobenzoylcyclopentane;Methanone, (2-chlorophenyl)cyclopentyl-;AEU83T8UK8;EINECS 229-802-0;MFCD00038367;EC 229-802-0;UNII-AEU83T8UK8;0-chlorphenylcyclopentylketone;2-Chlorophenylcyclopentylketone;SCHEMBL3389632;1-(2-chlorobenzoyl)cyclopentane;O-Chlorphenyl Cyclopentyl Ketone;0-Chlorphenyl Cyclopentyl Ketone;(2-Chlorophenyl)cyclopentylketone;DTXSID00217757;(2-Chlorophenyl)cyclopentyl ketone;BCP24666;AKOS005217004;CYCLOPENTYL O-CHLOROPHENYL KETONE;(2-Chlorophenyl)(cyclopentyl)methanone #;AS-42165;(2-CHLOROPHENYL)CYCLOPENTYLMETHANONE;C2338;W-104716;2-chlorophenyl cyclopentyl ketone;o-chlorophenyl cyclopentyl ketone

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Chemical Property of 2-Chlorophenyl cyclopentyl ketone

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.00283mmHg at 25°C
• Melting Point: 96 °C
• Refractive Index: 1.5470
• Boiling Point: 285.3 °C at 760 mmHg
• Flash Point: 157.1 °C
• PSA: 17.07000
• Density: 1.174 g/cm³
• LogP: 3.71290
• Storage Temp.: Refrigerator
• Solubility.: Slightly miscible with chloroform and ethyl acetate.
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 208.0654927
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)C(=O)C2=CC=CC=C2Cl
• Uses: 2-Chlorophenyl Cyclopentyl Ketone is used as a reagent in the preparation of bicyclic and polycyclic aromatic hydrocarbons. 2-Chlorophenyl cyclopentyl ketone is used as a reagent in the preparation of bicyclic and polycyclic aromatic hydrocarbons. It acts as a pharmaceutical intermediate and also as an intermediate of ketamine.

Technology Process of 2-Chlorophenyl cyclopentyl ketone

There total 14 articles about 2-Chlorophenyl cyclopentyl 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: 88.3%

Cyclopentanecarboxylic acid chloride (4524-93-0) + o-chlorophenylmagnesium chloride (1034156-02-9) → (2-chlorophenyl)(cyclopentyl)methanone (6740-85-8)

Guidance literature:

at -10 - 0 ℃; for 2h; Inert atmosphere;

Reference yield: 70.3%

o-chlorobenzoyl chloride (609-65-4) + cyclopentene (142-29-0) → (2-chlorophenyl)(cyclopentyl)methanone (6740-85-8)

Guidance literature:

With aluminum (III) chloride; Cyclopentane; In dichloromethane; at -10 ℃; Inert atmosphere; Reflux;

DOI:10.1021/acs.oprd.9b00553

Reference yield: 68.0%

Cyclopentyl bromide (137-43-9) + 2-Chlorobenzonitrile (873-32-5) → (2-chlorophenyl)(cyclopentyl)methanone (6740-85-8)

Guidance literature:

Cyclopentyl bromide; With iodine; magnesium; In diethyl ether; for 1h;

2-Chlorobenzonitrile; With copper(I) bromide; In diethyl ether; for 16h;

With water;

DOI:10.1124/dmd.113.051631

upstream raw materials:

(2-chlorophenyl)(cyclopent-1-en-1-yl)methanone

1-(N-morpholino)cyclopent-1-ene

o-chlorobenzoyl chloride

(2-Chloro-phenyl)-(2-morpholin-4-yl-cyclopent-1-enyl)-methanone

Downstream raw materials:

(±)-1-((2-chlorophenyl)(imino)methyl)cyclopentan-1-ol

norketamine

(S)-ketamine

2-Hydroxy-Norketamine

Refernces

• 1、 -. "Preparation method of high-purity esketamine hydrochloride ketone body". Paragraph 0064-0065; 0068-0069. . Retrieved 2021/02/10.
• 2、 Gao, Shenghua,Gao, Xuezhi,Yang, Zhezhou,Zhang, Fuli. "Process Research and Impurity Control Strategy of Esketamine". . p. 555 - 566. Retrieved 2020/05/19.