Methyl 3-cyclohexyl-2-oxopropanoate

Base Information

Chemical Name:Methyl 3-cyclohexyl-2-oxopropanoate
CAS No.:301852-43-7
Molecular Formula:C₁₀H₁₆O₃
Molecular Weight:184.235
Hs Code.:
European Community (EC) Number:888-280-8

Synonyms:SCHEMBL7641649;methyl 3-cyclohexyl-2-oxopropanoate;EN300-2115250;301852-43-7

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Chemical Property of Methyl 3-cyclohexyl-2-oxopropanoate

Chemical Property:

XLogP3:2.7
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:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C(=O)CC1CCCCC1

Technology Process of Methyl 3-cyclohexyl-2-oxopropanoate

There total 2 articles about Methyl 3-cyclohexyl-2-oxopropanoate 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: 98.0%

: 301852-42-6
(Z)-3-Cyclohexyl-2-triethylsilanyloxy-acrylic acid methyl ester

: 301852-43-7
3-cyclohexyl-2-oxo-propionic acid methyl ester

Guidance literature:: With pyridine hydrogenfluoride; In tetrahydrofuran; pyridine; at 20 ℃; for 0.166667h;
DOI:10.1021/jo0004310

Reference yield:

: 2043-61-0
cyclohexanecarbaldehyde

: 301852-43-7
3-cyclohexyl-2-oxo-propionic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: HN(TMS)2; BuLi / tetrahydrofuran; various solvent(s) / 0.33 h / -78 °C

1.2: 100 percent / tetrahydrofuran; various solvent(s) / -78 - 20 °C

2.1: 98 percent / HF*Py / tetrahydrofuran; pyridine / 0.17 h / 20 °C

With n-butyllithium; pyridine hydrogenfluoride; 1,1,1,3,3,3-hexamethyl-disilazane; In tetrahydrofuran; pyridine; 1.1: Dehydrogenation / 1.2: Horner-Emons / 2.1: desilylation;
DOI:10.1021/jo0004310

Reference yield: 46.0%

: 145100-50-1
1,1,1-trifluoro-N-(pyridin-2-yl)-N-((trifluoromethyl)sulfonyl)methane sulfonamide

: 301852-43-7
3-cyclohexyl-2-oxo-propionic acid methyl ester

: 301852-44-8
methyl (Z)-3-cyclohexyl-2-(trifluoromethanesulfonyloxy)propenoate

Guidance literature:: 3-cyclohexyl-2-oxo-propionic acid methyl ester; With sodium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.25h;

1,1,1-trifluoro-N-(pyridin-2-yl)-N-((trifluoromethyl)sulfonyl)methane sulfonamide; In tetrahydrofuran; at -78 ℃; for 0.333333h; Further stages.;
DOI:10.1021/jo0004310