Cyclohexyl 2-oxo-2-phenylacetate

Base Information

• Chemical Name: Cyclohexyl 2-oxo-2-phenylacetate
• CAS No.: 61598-01-4
• Molecular Formula: C14H16 O3
• Molecular Weight: 232.279
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID60454707
• Nikkaji Number: J1.030.934D
• Wikidata: Q82276389
• Mol file: 61598-01-4.mol

Synonyms:cyclohexyl 2-oxo-2-phenylacetate;61598-01-4;cyclo-hexyl benzoylformate;DTXSID60454707;1,4-THIOXANE1,1-DIOXIDE;Oxophenylacetic acid cyclohexyl ester;Benzeneaceticacid,a-oxo-,cyclohexyl ester

Chemical Property of Cyclohexyl 2-oxo-2-phenylacetate

Chemical Property:

• PSA: 43.37000
• LogP: 2.74520
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 232.109944368
• Heavy Atom Count: 17
• Complexity: 273

Purity/Quality:

CYCLOHEXYLPHENYLGLYOXYLATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)OC(=O)C(=O)C2=CC=CC=C2

Technology Process of Cyclohexyl 2-oxo-2-phenylacetate

There total 19 articles about Cyclohexyl 2-oxo-2-phenylacetate 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: 99.0%

methyl 2-oxo-2-phenylacetate (15206-55-0) + cyclohexanol (108-93-0) → phenylglyoxylic acid cyclohexyl ester (61598-01-4)

Guidance literature:

With zinc oxide nanoparticles; at 100 ℃; for 24h; Time; Catalytic behavior;

DOI:10.1016/j.cattod.2019.08.053

Reference yield: 86.0%

cyclohexyl alpha-phenyldiazoacetate → phenylglyoxylic acid cyclohexyl ester (61598-01-4)

Guidance literature:

With copper(l) iodide; oxygen; In ethyl acetate; at 50 ℃; for 13h; Schlenk technique;

DOI:10.1021/acs.joc.0c01744

Reference yield: 84.0%

phenylglyoxal hydrate (1074-12-0) → phenylglyoxylic acid cyclohexyl ester (61598-01-4)

Guidance literature:

With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; In water; at 60 ℃; for 2h; Sealed tube;

DOI:10.1080/00397911.2019.1600193

upstream raw materials:

Benzoylformic acid

cyclohexanol

iodobenzene

carbon monoxide

Downstream raw materials:

3,4-diphenyl-3-hydroxy-1-isopropylazetidin-2-one

3,4-diphenyl-3-hydroxy-1-isopropylazetidin-2-one

3,4-diphenyl-1-benzyl-3-hydroxyazetidin-2-one

cyclohexanone

Refernces

• 1、 Bhargude, Pooja L.,Lade, Jatin J.,Patil, Bhausaheb N.,Vadagaonkar, Kamlesh S.,Chaskar, Atul C.. "Highly adequate oxidative esterification of α-carbonyl aldehydes with alkyl halides in TBAI/TBHP mediated system". supporting information. p. 1325 - 1333. Retrieved 2019/04/30.
• 2、 Alegria, Elisabete C. B. A.,Karmakar, Anirban,Pombeiro, Armando J. L.,Rúbio, Guilherme M. D. M.,Ribeir, Ana P. C.,Saraiva, Marta S.,Soliman, Mohamed M. A.,da Silva, M. Fátima C. Guedes. "ZnO nanoparticles: An efficient catalyst for transesterification reaction of α-keto carboxylic esters". . . Retrieved 2019/09/06.