2-Chlorocyclooctanone

Base Information

• Chemical Name: 2-Chlorocyclooctanone
• CAS No.: 4828-34-6
• Molecular Formula: C8H13ClO
• Molecular Weight: 160.644
• Hs Code.: 2914700090
• European Community (EC) Number: 679-918-4
• DSSTox Substance ID: DTXSID60964038
• Nikkaji Number: J48.249H
• Mol file: 4828-34-6.mol

Synonyms:2-Chlorocyclooctanone;4828-34-6;2-chlorocyclooctan-1-one;alpha-Chlorocyclooctanone;Cyclooctanone, 2-chloro-;BRN 1929892;4-07-00-00050 (Beilstein Handbook Reference);2-chloro-cyclooctan-1-one;SCHEMBL8498779;DTXSID60964038;2-Chlorocyclooctanone, AldrichCPR;MFCD00013804;LS-57708;FT-0635454

Chemical Property of 2-Chlorocyclooctanone

Chemical Property:

• Vapor Pressure: 0.018mmHg at 25°C
• Boiling Point: 253.7°Cat760mmHg
• Flash Point: 122.3°C
• PSA: 17.07000
• Density: 1.06g/cm³
• LogP: 2.51710
• Storage Temp.: Freezer
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 160.0654927
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

98%Min ^*data from raw suppliers

2-Chlorocyclooctanone 96% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38-43
• Safety Statements: 36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(=O)C(CC1)Cl

Technology Process of 2-Chlorocyclooctanone

There total 4 articles about 2-Chlorocyclooctanone 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: 57.0%

cis-Cyclooctene (931-88-4,931-87-3,25267-51-0) → Cyclooctene oxide (286-62-4) + cis-1,2-Dichlorocyclooctane (16250-67-2) + 2-chlorocyclooctanone (4828-34-6) + (1RS,2RS)-1,2-dichlorocyclooctane (22828-42-8)

Guidance literature:

With oxygen; iron(III) chloride; In pyridine; for 1h; Irradiation;

DOI:10.1021/jo00316a007

Reference yield: 13.0%

(1-oxo-2-cyclooctanyl)-phenylselenium dichloride (104755-28-4) → 2-chlorocyclooctanone (4828-34-6) + 2-chloro-8-(phenylselenyl)cyclooctanone

Guidance literature:

In chloroform; for 144h;

DOI:10.1021/jo00252a028

Reference yield:

Cyclooctan (292-64-8) → Cyclooctene oxide (286-62-4) + cycloactanone (502-49-8) + cyclooctanol (696-71-9) + cyclooctyl chloride (1556-08-7) + 2-chlorocyclooctanone (4828-34-6)

Guidance literature:

With chromyl chloride; In cyclohexane; at 25 ℃; Rate constant; Kinetics; Product distribution; energy data: ΔH(excit.), ΔS(excit.), ΔG(excit.); var. temp.;

DOI:10.1021/ja00132a014

upstream raw materials:

cis-Cyclooctene

(1-oxo-2-cyclooctanyl)-phenylselenium dichloride

Cyclooctan

Downstream raw materials:

4,5,6,7,8,9-hexahydro-1H-cyclooctimidazole

methyl cycloheptanecarboxylate

2-phenylcyclooctan-1-one

cycloactanone