130995-62-9 Usage
Chemical structure
2-(2-tert-butyl-1,2-oxaziridin-3-yl)phenol The compound is a phenol derivative with an oxaziridine ring attached to a phenol group.
Oxaziridine ring
A three-membered cyclic compound with one oxygen and two nitrogen atoms This ring structure is responsible for the compound's unique reactivity and properties.
Phenol derivative
Modified form of phenol The presence of the oxaziridine ring makes 2-(2-TERT-BUTYL-1,2-OXAZIRIDIN-3-YL)PHENOL a derivative of the parent compound, phenol.
Reagent in organic synthesis
Commonly used in organic reactions 2-(2-TERT-BUTYL-1,2-OXAZIRIDIN-3-YL)PHENOL is often employed as a reagent to facilitate various organic transformations.
Chiral auxiliary in asymmetric synthesis
Helps induce chirality in target molecules As a chiral auxiliary, 2-(2-TERT-BUTYL-1,2-OXAZIRIDIN-3-YL)PHENOL plays a crucial role in the synthesis of chiral molecules with high enantioselectivity.
Potential applications
Pharmaceutical and agrochemical industries The compound has been studied for its possible uses in these fields, which could lead to the development of new drugs and agrochemical products.
Unique structure and reactivity
Valuable and versatile in organic chemistry The combination of the oxaziridine ring and phenol group gives 2-(2-TERT-BUTYL-1,2-OXAZIRIDIN-3-YL)PHENOL a distinct set of properties, making it a useful tool in various organic chemistry applications.
Check Digit Verification of cas no
The CAS Registry Mumber 130995-62-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,0,9,9 and 5 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 130995-62:
(8*1)+(7*3)+(6*0)+(5*9)+(4*9)+(3*5)+(2*6)+(1*2)=139
139 % 10 = 9
So 130995-62-9 is a valid CAS Registry Number.
130995-62-9Relevant academic research and scientific papers
Rearrangement Reactions of Oxaziridines to Nitrones. X-Ray Crystal and Molecular Structure of N-t-Butyl-α(o-hydroxyphenyl)nitrone
Christensen, Dorthe,Jorgensen, Karl Anker,Hazell, Rita G.
, p. 2391 - 2397 (2007/10/02)
Substituted N-benzylidene-t-butylamines are oxidized with m-chloroperoxybenzoic acid to oxaziridines which can rearrange to the corresponding nitrones when electron-donating groups are present in the phenyl ring.The oxaziridine-to-nitrone rearrangement, which has been considered as a 'pseudo-abnormal' reaction, can also be catalysed by Lewis acids.It has been found that the rearrangement of 2-t-butyl-3-(o-hydroxyphenyl)oxaziridine to the corresponding nitrone is of first order.The rearrangement has been investigated for different substituents in the phenyl ring, andin the case of 2-t-butyl-3-phenyloxaziridine substituted in the ortho position with electron-donating groups it has been found that the presence of protons of a Lewis acid is necessary.An X-ray structure of α-(o-hydroxyphenyl)-N-t-butylnitrone shows strong hydrogen bonding between the nitrone oxygen and the hydrogen in the hydroxy group.The oxaziridine-to-nitrone rearrangement is also analysed from a theoretical point of view using ab initio calculations.A Mulliken-population analysis of the C-O and N-O bonds in the oxaziridine ring for para-substitued 2-t-butyl-3-phenyloxaziridines shows a reduction of the C-O bond population when an electron-donating group is present in the para position of the phenyl ring compared with an electron-withdrawing group; the N-O bond populations show the reverse picture.A state-correlation diagram for the oxaziridine-to-nitrone rearrangement is also presented and the experimental and theoretical results support each other.
