Ethyl cyclopropyl(oxo)acetate

Base Information

• Chemical Name: Ethyl cyclopropyl(oxo)acetate
• CAS No.: 519164-14-8
• Molecular Formula: C₇H₁₀O₃
• Molecular Weight: 142.155
• European Community (EC) Number: 843-791-5
• Mol file: 519164-14-8.mol

Synonyms:ethyl cyclopropyl(oxo)acetate;519164-14-8;ethyl 2-cyclopropyl-2-oxoacetate;Cyclopropyl-oxo-acetic acid ethyl ester;SCHEMBL6642281;ethyl2-cyclopropyl-2-oxoacetate;MFCD22575220;AKOS030242364;SB37478;DB-101045;CS-0056003;D85551;EN300-112480

Chemical Property of Ethyl cyclopropyl(oxo)acetate

Chemical Property:

• Boiling Point: 203.4±7.0 °C(Predicted)
• Density: 1.174±0.06 g/cm3(Predicted)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 142.062994177
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

95% ^*data from raw suppliers

Cyclopropyl-oxo-aceticacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(=O)C1CC1

Technology Process of Ethyl cyclopropyl(oxo)acetate

There total 3 articles about Ethyl cyclopropyl(oxo)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: 88.0%

cyclopropylmagnesium bromide (23719-80-4) + oxalic acid diethyl ester (95-92-1) → ethyl 2-cyclopropyl-2-oxoacetate (519164-14-8)

Guidance literature:

In tetrahydrofuran; at -60 ℃; for 5h;

Reference yield:

3-cyclopropyl-2,2-dihydroxy-3-oxo-propionic acid ethyl ester (85297-89-8) → 2-cyclopropyl-2-oxoacetic acid (13885-13-7) + ethyl 2-cyclopropyl-2-oxoacetate (519164-14-8) + cyclopropanetartronic acid (85297-93-4)

Guidance literature:

With potassium carbonate; potassium hydrogencarbonate; at 40 ℃; Rate constant; Mechanism; Product distribution; pH = 9.6; 3-13C labelled analogue also examined;

DOI:10.1002/hlca.19820650813

Reference yield:

oxalic acid diethyl ester (95-92-1) → ethyl 2-cyclopropyl-2-oxoacetate (519164-14-8)

Guidance literature:

cyclopropyl-X; X=halide; With iodine; magnesium; In tetrahydrofuran; Heating;

oxalic acid diethyl ester; In tetrahydrofuran; toluene; at -78 - -40 ℃; for 1h; Further stages.;

DOI:10.1055/s-2007-990823

upstream raw materials:

3-cyclopropyl-2,2-dihydroxy-3-oxo-propionic acid ethyl ester

oxalic acid diethyl ester

cyclopropylmagnesium bromide

Downstream raw materials:

ethyl cyclopropyl[N-(p-methoxyphenyl)imino]acetate