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Cyclohexanone, 2-heptyl-, also known as 2-Heptylcyclohexanone, is an organic compound with the chemical formula C13H24O. It is a colorless to pale yellow liquid with a molecular weight of 196.33 g/mol. This ketone derivative features a cyclohexanone ring with a heptyl (seven-carbon) alkyl chain attached to the 2-position. It is insoluble in water but soluble in organic solvents such as ethanol and acetone. Cyclohexanone, 2-heptyl-, is used in the synthesis of various chemicals, pharmaceuticals, and fragrances due to its unique structure and properties.

3313-59-5

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3313-59-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 3313-59-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,3,1 and 3 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 3313-59:
(6*3)+(5*3)+(4*1)+(3*3)+(2*5)+(1*9)=65
65 % 10 = 5
So 3313-59-5 is a valid CAS Registry Number.

3313-59-5Relevant academic research and scientific papers

One-pot synthesis of 2-alkyl cycloketones on bifunctional Pd/ZrO2 catalyst

Xue, Weiyang,Gu, Bin,Wu, Huiling,Liu, Mengyang,He, Songbo,Li, Jingmei,Rong, Xin,Sun, Chenglin

, (2021/03/26)

2-Alkyl cycloketones are essential chemicals and intermediates for synthetic perfumes and pesticides, which are conventionally produced by multistep process including aldol condensation, separation and hydrogenation. In present work, a batch one-pot cascade approach using aldehydes and cycloketones as the raw materials, and a bifunctional Pd/ZrO2 catalyst was developed for the synthesis of 2-alkyl cycloketones, e.g., cyclohexanone and cycloheptanone. Very high aldehydes (except for paraldehyde with large steric hindrance) conversion and high yields for 2-alkyl cycloketones (e.g., 99 % of conversion for n-butanal and 76 wt.% of yield for 2-butyl cyclohexanone) were obtained at mild temperature of 140 °C. After 10 cycles of reuse, Pd/ZrO2 catalyst showed slight deactivation (ca. 5 % conversion and 10 % yield losses), due to the coke on the catalyst. However, the performance of the catalyst was completely recovered after an oxidative regeneration.

Clean borrowing hydrogen methodology using hydrotalcite supported copper catalyst

Dixit, Manish,Mishra, Manish,Joshi, Pradyuman A.,Shah, Dinesh O.

, p. 80 - 83 (2013/05/09)

The catalytic activity of Mg-Al hydrotalcite supported copper catalyst was investigated for clean CC and CN bond forming reactions using alcohols as alkylating agent via borrowing hydrogen methodology. The catalyst showed excellent conversion of ketone and amine substrates (71-99%) to alkylated products with high selectivity in alkylation reactions.

Catalytic oxidation of alkyl- and cycloalkylcyclanones into lactones

Abbasov,Alimardanov,Suleimanova

, p. 621 - 626 (2007/10/03)

Pilot-plant syntheses of alkyl and cycloalkylcyclanones and their subsequent liquid-phase oxidation into lactones are described. Characteristics of resulting intermediates and target products are reported.

Resolution of Racemic ε-Lactones

Fellous, R.,Lizzani-Cuvelier, L.,Loiseau, M. A.,Sassy, E.

, p. 343 - 346 (2007/10/02)

Kinetic resolution of racemic ε-lactones by Pig Liver Esterase give optically active R (+) ε-lactones.When alkyl group is higher than propyl, Horse Liver Esterase leads to the destruction of the opposite enantiomer.Enantiomeric excess is easily evaluated by G.C. on a chiral stationary phase.

CLEAVAGE OF SPIROOXAZIRIDINES BY THE ACTION OF FERROUS SULFATE

Schmitz, E.,Kapustina, N. I.,Sonnestein, H.,Nikishin, G. I.

, p. 849 - 853 (2007/10/02)

The reaction of 2-butyl-3,3-(1'-heptyl)tetramethyleneoxaziridine with ferrous sulfate gave the N-butylamides of E- and Z-4-dodecenecarboxylic and E- and Z-5-dodecenecarboxylic acids in ca. 1:1 ratio.Analogously, 2-butyl-3,3-(1'-alkyl)pentamethyleneoxaziridines gave the N-butylamides of the corresponding E- and Z-unsaturated carboxylic acids.

Enzyme-mediated enantioface-differentiating hydrolysis of α-substituted cycloalkanone enol esters

Matsumoto, Kazutsugu,Tsutsumi, Seiji,Ihori, Tamiko,Ohta, Hiromichi

, p. 9614 - 9619 (2007/10/02)

A new type of enzymatic hydrolysis, enantioface-differentiating hydrolysis of enol esters, is disclosed. As a result of screening, Pichia miso IAM 4682, a type of yeast, was selected as the best strain to perform the enantioselective hydrolysis of enol esters to give α-chiral ketones. For example, incubation of 1-acetoxy-2-methylcyclohexene (4a) with P. miso afforded (S)-2-methylcyclohexanone (5) in high optical yield. This enzymatic hydrolysis is applicable to various α-substituted cycloalkanone enol esters, and thereby chiral six-, eight-, ten-, and twelve-membered-ring ketones of 70-96% enantiomeric excess (ee) are easily prepared.

Hydroboration. 67. Cyclic Hydroboration of Acyclic α,ω-Dienes with 9-Borabicyclononane/Borane-Dimethyl Sulfide

Brown, Herbert C.,Pai, Ganesh G.,Naik, Ramachandra G.

, p. 1072 - 1078 (2007/10/02)

Hydroboration of acyclic α,ω-dienes, 1,3-butadiene, 1,4-pentadiene, 1,5-hexadiene, 1,7-octadiene, 1,8-nonadiene, 1,9-decadiene, 1,11-dodecadiene, and 1,13-tetradecadiene, with 2 molar equiv of 9-borabicyclononane (9-BBN), followed by redistribution of the resulting dumbbell-shaped trialkylboranes with 1 molar equiv of borane-methyl Sulfide complex (BMS), has been investigated.With 1,3-butadiene, the initial redistribution product, the five-membered boracyclane, borolane, underwent a rapid ring-opening reaction to give the known 1,6-diboracyclodecane. 1,4-Pentadiene and 1,5-hexadiene afforded the corresponding boracyclanes, borinane and borepane, in quantitative yields.With all other dienes, the initial redistribution products were polymeric.They were converted to the methyl esters by treatment with methanol, and these products were depolymerized into cyclic derivatives in 88-98percent yield by vacuum distillation at 175-200 deg C.In every case the cyclization was accompanied by varying amounts of isomerization so that the major products were both the parent B-methoxyboracyclane and the corresponding B-methoxy-2-n-alkylborinane.Thus, 1,6-heptadiene afforded B-methoxyborocane and B-methoxy-2-ethylborinane in 3:1 ratio and a total yield of 95percent.With 1,7-octadiene, 1,8-nonadiene, 1,9-decadiene and 1,11-dodecadiene, the isomerized product constituted the major constituent of the distillate. 1,13-Tetradecadiene afforded the parent boracyclane and the isomer in a 47:53 ratio and a combined yield of 82percent.The B-methoxyboracyclanes were converted to the corresponding cyclic ketones by the DCME reaction in 55-65percent yield.

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