Acetic acid 2-oxo-cyclohex-3-enyl ester

Base Information

• Chemical Name: Acetic acid 2-oxo-cyclohex-3-enyl ester
• CAS No.: 55444-14-9
• Molecular Formula: C8H10O3
• Molecular Weight: 154.166
• DSSTox Substance ID: DTXSID10464295
• Nikkaji Number: J2.012.851H
• Mol file: 55444-14-9.mol

Synonyms:ACETIC ACID 2-OXO-CYCLOHEX-3-ENYL ESTER;55444-14-9;(2-oxocyclohex-3-en-1-yl) acetate;6-acetoxy-2-cyclohexenone;SCHEMBL8873944;DTXSID10464295;FUSJDZULOVJEKS-UHFFFAOYSA-N;AKOS006291342

Chemical Property of Acetic acid 2-oxo-cyclohex-3-enyl ester

Chemical Property:

• Boiling Point: 100 °C(Press: 10 Torr)
• PSA: 43.37000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 0.83720
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.062994177
• Heavy Atom Count: 11
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

ACETIC ACID 2-OXO-CYCLOHEX-3-ENYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCC=CC1=O

Technology Process of Acetic acid 2-oxo-cyclohex-3-enyl ester

There total 8 articles about Acetic acid 2-oxo-cyclohex-3-enyl 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: 85.0%

cyclohexenone (930-68-7) + lead(IV) tetraacetate (546-67-8) → (1RS)-2-oxocyclohex-3-en-1-yl acetate (55444-14-9)

Guidance literature:

In toluene; Heating;

DOI:10.1039/b311951c

Reference yield: 76.0%

cyclohexenone (930-68-7) + acetic acid (64-19-7,77671-22-8) → (1RS)-2-oxocyclohex-3-en-1-yl acetate (55444-14-9)

Guidance literature:

With manganese(III) triacetate dihydrate; In benzene; for 20h; Reflux; Dean-Stark;

DOI:10.1016/j.tetlet.2017.10.038

Reference yield: 72.0%

cyclohexenone (930-68-7) + manganese triacetate (638-38-0,993-02-2,2180-18-9,15411-95-7,22981-23-3,27004-39-3) → (1RS)-2-oxocyclohex-3-en-1-yl acetate (55444-14-9)

Guidance literature:

In benzene; for 8h; Heating;

DOI:10.1016/j.tetasy.2004.04.019

upstream raw materials:

2-(trimethylsiloxy)cyclohexa-1,3-diene

acetic anhydride

cyclohexenone

oct-1-ene

Downstream raw materials:

2-butyl-3-cyclohexene-1,2-diol

2-(2-methoxymethoxy-phenyl)-cyclohex-3-ene-1,2-diol

2-ethyl-3-cyclohexene-1,2-diol

2-methyl-3-cyclohexene-1,2-diol

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