Acetic acid, trichloro-, 2-cyclohexen-1-yl ester

Base Information

• Chemical Name: Acetic acid, trichloro-, 2-cyclohexen-1-yl ester
• CAS No.: 66928-68-5
• Molecular Formula: C8H9Cl3O2
• Molecular Weight: 243.517
• DSSTox Substance ID: DTXSID80464782
• Nikkaji Number: J275.703F

Synonyms:2-cyclohexenyl trichloroacetate;66928-68-5;Acetic acid, trichloro-, 2-cyclohexen-1-yl ester;DTXSID80464782

Chemical Property of Acetic acid, trichloro-, 2-cyclohexen-1-yl ester

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 241.966813
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC=CC(C1)OC(=O)C(Cl)(Cl)Cl

Technology Process of Acetic acid, trichloro-, 2-cyclohexen-1-yl ester

There total 2 articles about Acetic acid, trichloro-, 2-cyclohexen-1-yl ester 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: 98.0%

trichloro-acetic acid 1-vinyl-hex-5-enyl ester → 2-cyclohexen-1-yl trichloroacetate (66928-68-5)

Guidance literature:

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In 1,2-dichloro-ethane; at 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2005.12.018

Reference yield: 25.0%

acetic acid (64-19-7,77671-22-8) + cyclohexene (110-83-8) + trichloroacetic acid (76-03-9) → rac-3-acetoxycyclohexene (76644-52-5,76704-31-9,14447-34-8,62247-41-0) + 2-cyclohexen-1-yl trichloroacetate (66928-68-5)

Guidance literature:

With palladium diacetate; p-benzoquinone; for 48h; Ambient temperature;

DOI:10.1016/0022-328X(89)85192-7

Reference yield: 92.0%

maleic anhydride (108-31-6) + 2-cyclohexen-1-yl trichloroacetate (66928-68-5) → cis-endo-bicyclo<2.2.2>oct-5-ene-2,3-dicarboxylic acid anhydride (6708-37-8,24327-08-0,85081-13-6,85081-14-7,3769-13-9)

Guidance literature:

Grubbs catalyst first generation; In chloroform-d1; Heating;

DOI:10.1016/j.tetlet.2005.12.018

upstream raw materials:

acetic acid

cyclohexene

trichloroacetic acid

Downstream raw materials:

cis-endo-bicyclo<2.2.2>oct-5-ene-2,3-dicarboxylic acid anhydride

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