Ethyl 2-oxo-2-(2-oxocycloheptyl)acetate

Base Information

• Chemical Name: Ethyl 2-oxo-2-(2-oxocycloheptyl)acetate
• CAS No.: 29800-43-9
• Molecular Formula: C11H16O4
• Molecular Weight: 212.246
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID20531568
• Mol file: 29800-43-9.mol

Synonyms:ethyl 2-oxo-2-(2-oxocycloheptyl)acetate;29800-43-9;OXO-(2-OXO-CYCLOHEPTYL)-ACETIC ACID ETHYL ESTER;SCHEMBL1149626;DTXSID20531568;DSAQODDOKVVBMA-UHFFFAOYSA-N;Ethyl oxo(2-oxocycloheptyl)acetate;MFCD16091088;AKOS011019720;SB36448;ethyl2-oxo-2-(2-oxocycloheptyl)acetate;CS-0255104;oxo-(2-oxocycloheptyl)-acetic acid ethyl ester

Chemical Property of Ethyl 2-oxo-2-(2-oxocycloheptyl)acetate

Chemical Property:

• PSA: 60.44000
• LogP: 1.26800
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 212.10485899
• Heavy Atom Count: 15
• Complexity: 270

Purity/Quality:

97% ^*data from raw suppliers

Oxo-(2-oxo-cycloheptyl)-aceticAcidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(=O)C1CCCCCC1=O

Technology Process of Ethyl 2-oxo-2-(2-oxocycloheptyl)acetate

There total 1 articles about Ethyl 2-oxo-2-(2-oxocycloheptyl)acetate 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) + cycloheptanone (502-42-1) → ethyl α,2-dioxocycloheptaneacetate (29800-43-9)

Guidance literature:

With sodium ethanolate; In ethanol; at 0 - 20 ℃; for 7h;

DOI:10.1111/j.1747-0285.2012.01365.x

Reference yield: 71.7%

ethyl α,2-dioxocycloheptaneacetate (29800-43-9) + phenylhydrazine (100-63-0) → C17H20N2O2 + ethyl 1-phenyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxylate (98310-09-9)

Guidance literature:

In methanol; at 20 ℃; Solvent; Temperature;

DOI:10.1021/acs.jafc.0c00522

Reference yield: 58.2%

ethyl α,2-dioxocycloheptaneacetate (29800-43-9) + phenylhydrazine hydrochloride (59-88-1) → ethyl 1-phenyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxylate (98310-09-9)

Guidance literature:

In methanol; at 20 ℃; Solvent;

DOI:10.1021/acs.jafc.0c00522

upstream raw materials:

oxalic acid diethyl ester

cycloheptanone

Downstream raw materials:

(S)-(3,5-Dinitro-phenylcarbamoyloxy)-((S)-2-oxo-cycloheptyl)-acetic acid ethyl ester

(αR,1R)-α-<<(3,5-dinitrophenyl)carbamoyl>oxy>-2-oxocycloheptane acetate

Ethyl 2,4,5,6,7,8-hexahydrocycloheptapyrazole-3-carboxylate

5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxylic acid