Chlorocyclododecane

Base Information

• Chemical Name: Chlorocyclododecane
• CAS No.: 34039-83-3
• Molecular Formula: C12H23Cl
• Molecular Weight: 202.768
• Hs Code.: 2903890090
• European Community (EC) Number: 630-958-0
• DSSTox Substance ID: DTXSID80187646
• Nikkaji Number: J2.063.670J
• Wikidata: Q83059354
• Mol file: 34039-83-3.mol

Synonyms:Chlorocyclododecane;34039-83-3;Cyclododecane, chloro-;Cyclododecane,chloro-;SCHEMBL4752203;DTXSID80187646;AKOS009235587;LS-55955

Chemical Property of Chlorocyclododecane

Chemical Property:

• Vapor Pressure: 0.00503mmHg at 25°C
• Refractive Index: 1.46
• Boiling Point: 284.7 °C at 760 mmHg
• Flash Point: 120.2 °C
• PSA: 0.00000
• Density: 0.92 g/cm³
• LogP: 4.89850
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 202.1488284
• Heavy Atom Count: 13
• Complexity: 99.7

Purity/Quality:

99% ^*data from raw suppliers

CHLOROCYCLODODECANE 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCC(CCCCC1)Cl
• General Description: **CHLOROCYCLODODECANE** is a chlorinated aliphatic hydrocarbon that can undergo chlorination reactions under subcritical carbon tetrachloride (CCl4) conditions, where chloro radicals generated from C–Cl bond cleavage facilitate its transformation. CHLOROCYCLODODECANE is part of a broader study demonstrating the reactivity of various substrates, including aliphatic and aromatic hydrocarbons, under high-temperature chlorination processes. The research underscores its participation in radical-mediated reactions, though specific details about its exact behavior or products in this context are not elaborated in the provided abstract.

Technology Process of Chlorocyclododecane

There total 4 articles about Chlorocyclododecane 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: 66.0%

2-cyclododecyloxysulfonyl-benzoic acid 2-(2-methoxy-ethoxy)-ethyl ester (888021-89-4) → chlorocyclododecane (34039-83-3) + cyclododecene (1501-82-2)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at -78 ℃;

DOI:10.1021/jo052333q

Reference yield:

cyclododecane (294-62-2) → chlorocyclododecane (34039-83-3) + cyclododecanol (1724-39-6) + cyclododecanone (830-13-7)

Guidance literature:

With oxygen; In acetonitrile; at 13 ℃; under 760 Torr; Irradiation;

DOI:10.1246/bcsj.77.2251

Reference yield:

cyclododecane (294-62-2) → chlorocyclododecane (34039-83-3) + cyclododecanone (830-13-7)

Guidance literature:

With pyridine; 2-Picolinic acid; tetrachloromethane; dihydrogen peroxide; acetic acid; Multistep reaction; 1) RT, 15 min, 2) RT, 4 h;

DOI:10.1016/S0040-4020(01)85610-6

upstream raw materials:

cyclododecane

2-cyclododecyloxysulfonyl-benzoic acid 2-(2-methoxy-ethoxy)-ethyl ester

cyclododecanol

Downstream raw materials:

4-Cyclododecyloxy-benzoic acid

cyclododecanecarbonitrile

cyclododecene

cyclododecanecarboxylic acid

Refernces

Chlorination of various substrates in subcritical carbon tetrachloride

10.1016/j.tet.2010.02.021

The research investigates the chlorination of various substrates, including aliphatic hydrocarbons and the side chains of aromatic hydrocarbons, under subcritical carbon tetrachloride (CCl4) conditions. The study explores the reactions of different compounds such as adamantane, chlorocyclododecane, and various aromatic hydrocarbons, including 1,4-disubstituted benzenes. The chlorination process involves the generation of chloro radicals from the C–Cl bond cleavage of carbon tetrachloride under high-temperature conditions. The study also examines the stability and transformation of other compounds like ketones, sulfones, sulfoxides, and ole?ns under these conditions. The results show that while ketones and sulfones remain stable, sulfoxides are converted into sul?des, and ole?ns form coupling adducts with carbon tetrachloride. The research highlights the unique reactivity of subcritical carbon tetrachloride in facilitating these chlorination reactions and provides insights into the potential applications and mechanisms involved in this process.

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