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α,α-Dideutrophenylacetyl chloride is a chemical compound with the molecular formula C8D2Cl2O2, featuring two deuterium atoms attached to the alpha carbon of the phenyl ring. It is a derivative of phenylacetyl chloride, where the hydrogen atoms on the alpha carbon are replaced by deuterium atoms. α,α-dideutrophenylacetyl chloride is often used in organic synthesis and as a reagent in various chemical reactions, particularly in the preparation of deuterated compounds. Its deuterated nature can be beneficial for studying reaction mechanisms and in applications where isotopic labeling is required, such as in tracer studies or in the synthesis of compounds for use in nuclear magnetic resonance (NMR) spectroscopy.

59211-45-9

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59211-45-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 59211-45-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,9,2,1 and 1 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 59211-45:
(7*5)+(6*9)+(5*2)+(4*1)+(3*1)+(2*4)+(1*5)=119
119 % 10 = 9
So 59211-45-9 is a valid CAS Registry Number.

59211-45-9Relevant academic research and scientific papers

Electron ionization mass spectra of 1-(1-naphthyl)ethyl phenylacetates: A study of radical cation rearrangements

Grossert, J. Stuart,Yhard, G. Bradley,Pincock, James A.,Curtis, Jonathan M.

, p. 761 - 766 (2007/10/03)

A series of esters, including three specifically deuterated esters, was prepared from 1-(1-naphthyl)ethanol and phenylacetic acids having different phenyl substituents. The electron ionization (EI) mass spectra revealed the formation of the expected cleavage ions, plus two types of rearrangement ions, The formation of one type of rearrangement ion from M+. is shown to involve a process in which a benzylic hydrogen atom migrates to the naphthyl side of the ester. Subsequent cleavage results in a radical cation, a, whose structure was investigated by tandem mass spectrometric (MS/MS) experiments. The other type of rearrangement ion, b, is apparently formed by a regular McLafferty-type process with hydrogen transfer from the ethyl chain to the acid side of the ester. An MS/MS experiment on molecular ions from 1-(1-naphthyl)ethanol, which are isobaric with a, showed the presence of two fragmentation pathways, one pathway being similar to that seen for the ester-derived ion a and the other a simple α-cleavage process. The mechanistic study was supported by accurate mass measurements on all relevant ions.

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