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Cyclohexanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester, also known as ethyl 2-oxocyclohexane-1-carboxylate or ethyl 2-oxocyclohexanecarboxylate, is a chemical compound with the molecular formula C10H16O4. It is an ester derivative of cyclohexanecarboxylic acid, featuring a cyclohexane ring with a carboxylic acid group at position 1 and an oxopropyl group at position 2. The ethyl ester group is attached to the carboxylic acid, making it a versatile intermediate in organic synthesis. Cyclohexanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester is used in the production of various pharmaceuticals, agrochemicals, and other specialty chemicals due to its unique structure and reactivity. It is typically synthesized through the esterification of the corresponding cyclohexanecarboxylic acid with ethanol in the presence of an acid catalyst.

4413-66-5

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4413-66-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4413-66-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,4,1 and 3 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 4413-66:
(6*4)+(5*4)+(4*1)+(3*3)+(2*6)+(1*6)=75
75 % 10 = 5
So 4413-66-5 is a valid CAS Registry Number.

4413-66-5Relevant academic research and scientific papers

Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones

Li, Zhengning,Lam, Shuk Mei,Ip, Ignatius,Wong, Wing-Tak,Chiu, Pauline

supporting information, p. 4464 - 4467 (2017/09/11)

Rhodium-catalyzed decomposition of fused bicyclic α-diazo-β-hydroxyketones results in good yields of bridged bicyclo[m.n.1]ketones via a rearrangement pathway.

An improved synthetic route to rigid triphenylene ketal bearing structural bicyclic subunits

Tao, Chuanyi,Li, Jingke

, p. 388 - 392 (2016/09/09)

Background: Rigid receptor molecules based on triphenylene ketals exhibit a strong affinity towards some particular guests such as caffeine and trinitrobenzene, thus being good candidates for caffeine or trinitrobenzene sensing applications. It is most im

Stereoselective synthesis of medium-sized carbocycles using alkoxy radical fragmentation as a key methodology

Pradhan, Tarun K.,Hassner, Alfred

, p. 1071 - 1074 (2008/02/13)

Stereoselective and regioselective synthesis of functionalized seven- and eight-membered carbocyclic systems was achieved by the ring expansion-cleavage of readily prepared [3.2.1] and [3.3.1] bicyclic alcohols using alkoxy radical fragmentation at room t

Synthesis of rigid receptors based on triphenylene ketals

Schopohl, Matthias C.,Faust, Andreas,Mirk, Daniela,Froehlich, Roland,Kataeva, Olga,Waldvogel, Siegfried R.

, p. 2987 - 2999 (2007/10/03)

The synthesis of rigid receptors based on triphenylene ketals, including some improved procedures, is described in detail. Since chemical transformations are strongly influenced by the rigid character and steric bulkiness of the receptors, the constructio

Samarium diiodide-catalyzed diastereoselective pinacol couplings

Aspinall, Helen C.,Greeves, Nicholas,Valla, Carine

, p. 1919 - 1922 (2007/10/03)

(Chemical Equation Presented) A complex of samarium diiodide (Sml 2) with tetraglyme catalyzes the intermolecular pinacol coupling of aromatic or aliphatic aldehydes at loadings of 10 mol % in the presence of Me2SiCl2 and Mg. Diastereoselectivity of up to 95/5 (±/meso) has been achieved for aliphatic aldehydes and up to 19/81 (±/meso) for aromatic aldehydes. De values of up to 99% have been achieved in intramolecular pinacol coupling reactions using the Sml 2/tetraglyme/Mg/Me2SiCl2 catalytic system.

Utilization of nonionic bases in water as a highly efficient organocatalytic system for Michael addition of β-ketoesters

Bensa, David,Rodriguez, Jean

, p. 1515 - 1533 (2007/10/03)

Michael addition of various β-ketoesters with several Michael acceptors in water containing 5 mol% of a nonionic base such as phosphazenes, guanidines, and more classical nitrogen containing derivatives or triphenyl phosphine results in high yield convers

Selective transformations of β-keto esters, promoted by Dowex basic ion-exchange resins

Simon, Celine,Peyronel, Jean-Francois,Clerc, Francois,Rodriguez, Jean

, p. 3359 - 3364 (2007/10/03)

Depending on the nature of the Dowex basic ion-exchange resin, cyclic β-keto esters 1 react with α,β-unsaturated aldehydes 2 to give either the corresponding Michael adducts 3 or the highly functionalized bicyclo[3.3.1]nonanes 4 in a onepot Michael addition-intramolecular aldolization sequence. Some selective transformations of the highly functionalized systems 3 and 4 to provide amino azabicyclo[3.3.1]nonanones 9, polycyclic aminals 10, and azacyclooctene 12 are also presented. Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002).

Electroorganic Chemistry. 144. Electroreductive Coupling of Ketones with O-Methyl Oximes, N,N-Dimethylhydrazones, amd Nitrones. A Convenient Route to Synthesis of β-Amino Alcohol

Shono, Tatsuya,Kise, Naoki,Fujimoto, Taku,Yamanami, Ayuko,Nomura, Ryoji

, p. 1730 - 1740 (2007/10/02)

The intermolecular coupling of a variety of ketones with some types of O-methyl oximes took place when a mixture of both components was electrochemically reduced in i-PrOH with an Sn cathode.The product, β-methoxyamino alcohol was easily converted to β-amino alcohol by simple reduction.A chiral ligand effective for the enantioselective addition of diethylzinc to an aldehyde was easily obtained from the product formed by the electroreductive coupling of (-)-menthone with O-methylacetaldoxime.The intermolecular coupling of a ketone with a N,N-dimethylhydrazone or nitrone was also promoted by the electroreduction.Furthermore, the electroreductive coupling of a carbonyl group with an intramolecular O-methyl oxime moiety gave the corresponding cyclized product stereoselectively.

Stereoselective Synthesis of (+/-)-Isonitramine and (+/-)-Sibirine

Fujii, Masayuki,Kawaguchi, Koichi,Nakamura, Kaoru,Ohno, Atsuyoshi

, p. 1493 - 1496 (2007/10/02)

Spirocyclic alkaloids, (+/-)-isonitramine and (+/-)-sibirine were synthesized in high overall yields via a chemoselective reduction by Hantzsch ester (HEH), a coenzyme NADH model compound.

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