3-Chlorocyclohexene

Base Information

• Chemical Name: 3-Chlorocyclohexene
• CAS No.: 2441-97-6
• Molecular Formula: C6H9 Cl
• Molecular Weight: 116.59
• Hs Code.: 2903890090
• European Community (EC) Number: 679-664-4
• DSSTox Substance ID: DTXSID60947285
• Nikkaji Number: J77.850H
• Mol file: 2441-97-6.mol

Synonyms:3-CHLOROCYCLOHEXENE;2441-97-6;Cyclohexene, 3-chloro-;3-chlorocyclohex-1-ene;3-Chloro-1-cyclohexene;3-Cyclohexenyl chloride;BRN 1852114;MFCD00013776;4-05-00-00230 (Beilstein Handbook Reference);3-Chlorocyclohexene-1;1,2,3,4-Tetrahydrochlorobenzene;3-chloro-cyclohexene;SCHEMBL717817;DTXSID60947285;AKOS028108394;BS-23101;LS-57459;SY054691;FT-0615483;EN300-805137;T70633;A903127

Chemical Property of 3-Chlorocyclohexene

Chemical Property:

• Vapor Pressure: 5.59mmHg at 25°C
• Refractive Index: 1.4880-1.4920
• Boiling Point: 147.5°Cat760mmHg
• Flash Point: 27.4°C
• PSA: 0.00000
• Density: 1.02g/cm³
• LogP: 2.33390
• Storage Temp.: 0-10°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 116.0392780
• Heavy Atom Count: 7
• Complexity: 76.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Chlorocyclohexene ^*data from reagent suppliers

Safty Information:

• Statements: 10-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC=CC(C1)Cl

Technology Process of 3-Chlorocyclohexene

There total 56 articles about 3-Chlorocyclohexene 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: 100.0%

cyclohexen-1-en-3-yl diethyl phosphate (68735-62-6) → 3-chloro-cyclohexene (2441-97-6)

Guidance literature:

With chloro-trimethyl-silane; In dichloromethane-d2; for 1h; Reagent/catalyst; Inert atmosphere;

DOI:10.1021/jacs.7b02440

Reference yield: 74.8%

cyclohexene (110-83-8) → 3-chloro-cyclohexene (2441-97-6) + trans-1,2-dichlorocyclohexane (822-86-6)

Guidance literature:

With phosphorus pentachloride; for 2h;

Reference yield: 41.0%

ethyl N,N-dichlorocarbamate (13698-16-3) + cyclohexene (110-83-8) → 3-chloro-cyclohexene (2441-97-6) + trans-1-chloro-2-fluorocyclohexane (20421-40-3) + trans-ethyl N-2-chlorocyclohexylcarbamate (4098-70-8,18296-24-7,18296-25-8)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; Ambient temperature;

DOI:10.1016/S0040-4039(00)94744-0

upstream raw materials:

N-chloro-succinimide

cyclohexene

cyclohexa-1,3-diene

tetrachloromethane

Downstream raw materials:

3-(2-cyclohexenyl)cyclohexanone

8-Chloro-6-methyl-7-phenylsulfanyl-bicyclo[3.2.1]oct-6-ene

cyclohex-2-ene-1-carboxylic acid

1-(cyclohex-2-enyl)-1,3-diphenylindene

Refernces

• 1、 Ogata et al.. "". . p. 1509. Retrieved 1967.
• 2、 Munyemana, Fran?ois,Patiny, Luc,Ghosez, Léon. "A mild method for the replacement of a hydroxyl group by halogen: 3. the dichotomous behavior of α-haloenamines towards allylic and propargylic alcohols". . . Retrieved 2021/06/07.
• 3、 Jana, Rahul Dev,Sheet, Debobrata,Chatterjee, Sayanti,Paine, Tapan Kanti. "Aliphatic C-H Bond Halogenation by Iron(II)-α-Keto Acid Complexes and O2: Functional Mimicking of Nonheme Iron Halogenases". . p. 8769 - 8777. Retrieved 2018/08/17.