116422-98-1 Usage
General Description
4-Isoxazolepropanenitrile,3,5-dimethyl-(9CI) is a chemical compound that belongs to the class of isoxazole derivatives. It is a nitrile compound with the molecular formula C7H8N2O, and it exists as a colorless liquid. 4-Isoxazolepropanenitrile,3,5-dimethyl-(9CI) is commonly used in organic synthesis and pharmaceutical research due to its reactivity and potential as a building block for more complex molecules. Its main applications include the production of pharmaceuticals, agrochemicals, and other fine chemicals. In addition, 4-Isoxazolepropanenitrile,3,5-dimethyl-(9CI) has also been studied for its potential biological activities and pharmacological properties.
Check Digit Verification of cas no
The CAS Registry Mumber 116422-98-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,6,4,2 and 2 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 116422-98:
(8*1)+(7*1)+(6*6)+(5*4)+(4*2)+(3*2)+(2*9)+(1*8)=111
111 % 10 = 1
So 116422-98-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H10N2O/c1-6-8(4-3-5-9)7(2)11-10-6/h3-4H2,1-2H3
116422-98-1Relevant articles and documents
Synthesis of 6-Substituted 2-(N-Acetylamino)pyridines and 2-Aminopyridines by Cyclization of 5-Oximinoalkanenitriles
Vijn, Robert J.,Arts, Henricus J.,Maas, Peter J.,Castelijns, Anna M.
, p. 887 - 891 (2007/10/02)
Oxime derivatives of 5-oxoalkanenitriles (C6 chain or longer) were cyclized in most cases with a combination of AcCl and Ac2O, or Ac2O and HCl to 6-substituted 2-(N-acetylamino)pyridines.Alkaline hydrolysis gave the corresponding 2-aminopyridines in overall yields of 40-65 percent, with the exception of pyridine 3e.Oxime derivatives of 5-oxopentanenitriles did not cyclize but gave glutaronitriles instead.In some experiments with 5-oximinohexanenitrile (1a), 2,4-dimethyl-5-(2-cyanoethyl)oxazole (9) was detected in addition to the main product, 2-(N-acetylamino)-6-methylpyridine (2a).Formation of these compounds can be explained on the basis of a common intermediate 7 formed through rearrangement of the O-acetylated 5-oximinohexanenitrile (4).
