Ethyl 2-cyclohexyl-2-oxoacetate

Base Information

• Chemical Name: Ethyl 2-cyclohexyl-2-oxoacetate
• CAS No.: 13275-31-5
• Molecular Formula: C10H16O3
• Molecular Weight: 184.235
• Hs Code.: 2933990090
• European Community (EC) Number: 813-350-1
• DSSTox Substance ID: DTXSID50452974
• Nikkaji Number: J1.041.394J
• Wikidata: Q82273909
• Mol file: 13275-31-5.mol

Synonyms:ethyl 2-cyclohexyl-2-oxoacetate;13275-31-5;ethyl cyclohexyl(oxo)acetate;ETHYL2-CYCLOHEXYL-2-OXOACETATE;Ethyl cyclohexyloxoacetate;Ethylcyclohexyl(oxo)acetate;Cyclohexaneacetic acid, alpha-oxo-, ethyl ester;SCHEMBL534242;DTXSID50452974;MAOUXDYQHDQFFV-UHFFFAOYSA-N;Oxocyclohexylacetic acid ethyl ester;MFCD09055348;AKOS006280783;AS-50606;CS-0206556;FT-0678644;P10695;A855957

Chemical Property of Ethyl 2-cyclohexyl-2-oxoacetate

Chemical Property:

• Vapor Pressure: 0.009mmHg at 25°C
• Boiling Point: 265.884oC at 760 mmHg
• Flash Point: 112.142oC
• PSA: 43.37000
• Density: 1.058g/cm3
• LogP: 1.69890
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 184.109944368
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-Cyclohexyl-2-oxoacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=O)C1CCCCC1

Technology Process of Ethyl 2-cyclohexyl-2-oxoacetate

There total 18 articles about Ethyl 2-cyclohexyl-2-oxoacetate 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: 87.0%

oxalic acid diethyl ester (95-92-1) + cyclohexylmagnesium bromide (931-50-0) → ethyl cyclohexyloxoacetate (13275-31-5)

Guidance literature:

DOI:10.1016/S0040-4039(98)02587-8

Reference yield: 87.0%

cyclohexylmagnesiumchloride (931-51-1) + oxalic acid diethyl ester (95-92-1) → ethyl cyclohexyloxoacetate (13275-31-5)

Guidance literature:

In diethyl ether; at -78 ℃; Inert atmosphere;

DOI:10.1002/anie.201007568

Reference yield: 80.0%

ethyl 3,5-dimethyl-1-pyrazolylglyoxylate (220332-87-6) + cyclohexylmagnesium bromide (931-50-0) → ethyl cyclohexyloxoacetate (13275-31-5)

Guidance literature:

In diethyl ether; at -90 ℃; for 1h;

DOI:10.3987/COM-98-S24

upstream raw materials:

oxalic acid diethyl ester

cyclohexylmagnesium bromide

ethyl 1-oxaspiro[2.5]octane-2-carboxylate

ethanol

Downstream raw materials:

cyclohexyl-semicarbazono-acetic acid ethyl ester

Cyclohexyl-<2-chlor-phenyl>-glykolsaeure-aethylester

Cyclohexyl-o-tolyl-glykolsaeure-aethylester

Cyclohexyl-(3-fluor-phenyl)-glykolsaeure-aethylester