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tert-butyl 2-methylperbenzoate is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

22313-62-8

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22313-62-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 22313-62-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,2,3,1 and 3 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 22313-62:
(7*2)+(6*2)+(5*3)+(4*1)+(3*3)+(2*6)+(1*2)=68
68 % 10 = 8
So 22313-62-8 is a valid CAS Registry Number.
InChI:InChI=1/C12H16O3/c1-9-7-5-6-8-10(9)11(13)14-15-12(2,3)4/h5-8H,1-4H3

22313-62-8Relevant academic research and scientific papers

Temperature-controlled solvent-free selective synthesis of tert-butyl peresters or acids from benzyl cyanides in the presence of the TBHP/Cu(OAc)2 system

Hashemi,Saberi,Poorsadeghi,Niknam

, p. 7619 - 7622 (2017/02/05)

Solvent-free room temperature synthesis of tert-butyl peresters was achieved via copper-catalyzed oxidative-coupling of benzyl cyanides with tert-butyl hydroperoxide in short reaction times. Various derivatives of tert-butyl peresters were synthesized by this pathway in good to excellent yields. Further investigation revealed that the above-mentioned protocol is effective for the synthesis of benzoic acid derivatives when the reaction is conducted at 80?°C, under the same reaction conditions.

Bu4NI-catalyzed construction of tert-butyl peresters from alcohols

Zhang, Hui,Dong, Dao-Qing,Hao, Shuang-Hong,Wang, Zu-Li

, p. 8465 - 8468 (2016/02/09)

A new method for the synthesis of tert-butyl peresters directly from available alcohols catalyzed by Bu4NI at room temperature in an aqueous system was developed. Additionally, allylic esters could also be obtained by combing this method and Kharasch-Sosnovsky reaction via a two-step one-pot procedure.

Enantioselective allylic oxidation of cycloalkenes by using Cu(II)-tris(oxazoline) complex as a catalyst

Kawasaki, Ken-Ichi,Katsuki, Tsutomu

, p. 6337 - 6350 (2007/10/03)

Optically active copper(II)-tris(oxazoline) complex that was synthesized as a model compound of the active site of non-heme oxygenase, was found to catalyze allylic oxidation of cycloalkenes to give the corresponding 2-cycloalkenyl benzoates with moderate to excellent enantioselectivity (up to 93% ee) under die Kharash-Sosnovsky reaction conditions.

The Influence of Steric Constraints on the Conformational Properties and on the 17O NMR Shielding of ortho-Substituted Perbenzoates

Antolini, Luciano,Benassi, Rois,Ghelli, Stefano,Folli, Ugo,Sbardellati, Silvia,Taddei, Ferdinando

, p. 1907 - 1913 (2007/10/02)

The 17O chemical shifts and band widths for tert-butyl peresters of ortho-substituted benzoic acids have been measured in benzene solution.Two signals are observed, of different line-width, and that at higher field is broader.The two signals shift to lower field with an increase in the number and size of ortho substituents (methyl and tert-butyl groups were chosen), and the signal at lower field is the one more significantly affected.Correlations with a fair degree of linearity are found for each set of chemical shifts with the twist angle of the carbonyl group from the phenyl plane.Twist angles were calculated from molecular mechanics.From the screening constants estimated theoretically at a semi-empirical level with the Karplus-Pople formula and from line-width arguments based on quadrupole relaxation, it is possible to advance the reasonable conclusion that the signal at lower field of these molecules represents two oxygen nuclei and the other the remaining peroxidic oxygen.For the 2,4,6-tri-But derivative which is solid at room temperature and can be obtained in a suitable crystal form, the crystal and molecular structure has been determined by X-ray diffraction.The structure is built up of one crystallographically independent molecule, affected by statistical disorder due to two alternative orientations of all the tert-butyl groups bonded to the ring.The peroxycarboxyl group is planar and nearly perpendicular (80.8) to the benzene ring plane.

A New Synthesis of 4,5-Unsubstituted 1,3-Dioxoles

Meier, Lothar,Scharf, Hans-Dieter

, p. 517 - 520 (2007/10/02)

A synthesis of 4,5-unsubstituted 1,3-dioxoles in two steps from easily accessible 1,3-dioxolanes is described.

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