(1-Chlorocyclohexyl) cyclohexyl ketone

Base Information

• Chemical Name: (1-Chlorocyclohexyl) cyclohexyl ketone
• CAS No.: 83803-75-2
• Molecular Formula: C13H21 Cl O
• Molecular Weight: 228.762
• Hs Code.: 2914700090
• European Community (EC) Number: 280-893-3
• UNII: 4P4NN97Q7K
• DSSTox Substance ID: DTXSID30232670
• Nikkaji Number: J296.265I
• Wikidata: Q83113744
• Mol file: 83803-75-2.mol

Synonyms:83803-75-2;(1-Chlorocyclohexyl) cyclohexyl ketone;(1-chlorocyclohexyl)-cyclohexylmethanone;4P4NN97Q7K;EINECS 280-893-3;UNII-4P4NN97Q7K;Methanone,(1-chlorocyclohexyl)cyclohexyl-;(1-Chlorocyclohexyl)cyclohexyl-methanone;(1-CHLOROCYCLOHEXYL)(CYCLOHEXYL)METHANONE;C13H21ClO;C13-H21-Cl-O;DTXSID30232670;(1-Chlorocyclohexyl)cyclohexyl ketone;FT-0759555;METHANONE, (1-CHLOROCYCLOHEXYL)CYCLOHEXYL-

Chemical Property of (1-Chlorocyclohexyl) cyclohexyl ketone

Chemical Property:

• Vapor Pressure: 0.000256mmHg at 25°C
• Melting Point: 40 °C
• Boiling Point: 323.8°C at 760 mmHg
• Flash Point: 190.3°C
• PSA: 17.07000
• Density: 1.06g/cm³
• LogP: 4.07750
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 228.1280930
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

99.9% ^*data from raw suppliers

(1-Chlorocyclohexyl)cyclohexyl-methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(=O)C2(CCCCC2)Cl
• Uses: (1-Chlorocyclohexyl)cyclohexyl-methanone is a synthetic intermediate and a potential reagent for the synthesis of Dicyclomine Impurity A (B382435) and Dihexyverine Hydrochloride (D448200).

Technology Process of (1-Chlorocyclohexyl) cyclohexyl ketone

There total 2 articles about (1-Chlorocyclohexyl) 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:

dicyclohexyl ketone (119-60-8) → (1-chloro-cyclohexyl)-cyclohexyl ketone (83803-75-2)

Guidance literature:

With sulfuryl dichloride; at 50 ℃;

Reference yield:

sulfuryl dichloride (7791-25-5) + dicyclohexyl ketone (119-60-8) → (1-chloro-cyclohexyl)-cyclohexyl ketone (83803-75-2)

Guidance literature:

Reference yield:

(1-chloro-cyclohexyl)-cyclohexyl ketone (83803-75-2) → 1-cyclohexylcyclohexane-1-carboxylic acid (60263-54-9)

Guidance literature:

With 1,4-dioxane; potassium hydroxide;

upstream raw materials:

dicyclohexyl ketone

sulfuryl dichloride

Downstream raw materials:

cyclohexyl-(1-phenoxy-cyclohexyl)-ketone

Dicyclomine

1-cyclohexylcyclohexane-1-carboxylic acid

cyclohexyl-(1-hydroxy-cyclohexyl)-ketone