218632-10-1 Usage
Explanation
The molecular formula represents the number of atoms of each element present in a molecule. In this case, the compound has 12 carbon (C), 12 hydrogen (H), 3 fluorine (F), 1 nitrogen (N), and 1 oxygen (O) atoms.
Explanation
This describes the specific arrangement of atoms and functional groups in the compound. It consists of a pyrazole ring with a 4-methoxyphenyl group at position 1, a methyl group at position 5, and a trifluoromethyl group at position 3.
3. Pyrazole Derivative
Explanation
The compound is derived from the parent molecule pyrazole, which is a five-membered heterocyclic compound containing four carbon atoms and one nitrogen atom.
4. Pharmaceutical Industry Application
Explanation
The compound is used in the development of new drugs due to its various biological activities.
Explanation
The compound exhibits these properties, making it potentially useful in the treatment of fungal infections and inflammation.
6. Building Block in Organic Synthesis
Explanation
The compound can be used as a starting material to synthesize other chemical compounds with potential medicinal applications.
7. Potential Medicinal Applications
Explanation
Due to its various biological activities and use as a building block in organic synthesis, the compound may have applications in the development of new medications.
Chemical Structure
1-(4-Methoxyphenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole
Biological Activities
Antifungal and anti-inflammatory properties
Check Digit Verification of cas no
The CAS Registry Mumber 218632-10-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,8,6,3 and 2 respectively; the second part has 2 digits, 1 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 218632-10:
(8*2)+(7*1)+(6*8)+(5*6)+(4*3)+(3*2)+(2*1)+(1*0)=121
121 % 10 = 1
So 218632-10-1 is a valid CAS Registry Number.
218632-10-1Relevant articles and documents
Pyrazole formation: Examination of kinetics, substituent effects, and mechanistic pathways
Sloop, Joseph C.,Lechner, Brent,Washington, Gary,Bumgardner, Carl L.,Loehle, W. David,Creasy, William
, p. 370 - 383 (2008/09/20)
Reaction kinetics for the condensation of 1,3-diketones 1a-o with selected arylhydrazines (aryl = Ph, 4-NO2Ph, 4-CH3OPh, and 2,4-diNO2Ph) was studied using 19F NMR spectroscopy. Product regioselectivity is modulated by reactant ratios, substituents, and acidity. Reaction rates were found to be influenced by substituents on the diketones and on phenylhy-drazines as well as by acidity of the reaction medium with rates varying as much as 1000-fold. Hammett p values for these cyclizations were determined. The reaction was found to be first order in both the diketone and arylhydrazine. The rate-determining step for pyrazole formation shifts as a function of pH. Mechanistic details and reaction pathways supporting these findings are proposed.
Synthesis of fluorinated heterocycles
Sloop, Joseph C.,Bumgardner, Carl L.,Loehle, W. David
, p. 135 - 147 (2007/10/03)
Selected 1,3-diketones having a trifluoromethyl group and/or a fluorine in the 2-position were condensed with aromatic hydrazines, hydroxylamine, urea, thiourea, guanidine, and substituted anilines producing pyrazoles, isoxazoles, pyrimidines, and quinolines, respectively, in yields ranging from 27 to 87%.
