697-94-9 Usage
Organic compound
It is an organic compound A compound primarily composed of carbon and hydrogen atoms, often containing other elements like fluorine and nitrogen in this case.
Tetrazole ring
The compound contains a tetrazole ring A five-membered heterocyclic ring with four nitrogen atoms and one carbon atom.
Methyl group
A methyl group (CH3) is attached to the tetrazole ring A common alkyl group consisting of one carbon atom bonded to three hydrogen atoms.
Trifluoromethyl group
A trifluoromethyl group (CF3) is also attached to the tetrazole ring A group consisting of one carbon atom bonded to three fluorine atoms, enhancing the compound's reactivity and stability.
Building block in organic synthesis
The compound is commonly used as a building block in organic synthesis It serves as a starting material or intermediate to create more complex organic molecules.
Reagent in chemical reactions
1-Methyl-5-(trifluoromethyl)-1H-tetrazole is used as a reagent in chemical reactions It can induce or participate in chemical transformations to obtain desired products.
White solid at room temperature
The compound appears as a white solid under normal conditions Its physical form is a white crystalline solid at standard temperature and pressure.
Stable under normal conditions
1-Methyl-5-(trifluoromethyl)-1H-tetrazole maintains stability in regular storage and handling situations It does not readily undergo unwanted chemical reactions or decomposition.
Pharmaceutical research and development
The compound is used in pharmaceutical research and development It aids in the discovery and production of new drugs with potential therapeutic applications.
Production of drugs with potential therapeutic applications
1-Methyl-5-(trifluoromethyl)-1H-tetrazole contributes to the creation of drugs with possible medicinal uses It serves as a key component or intermediate in the synthesis of beneficial pharmaceutical compounds.
Check Digit Verification of cas no
The CAS Registry Mumber 697-94-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,9 and 7 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 697-94:
(5*6)+(4*9)+(3*7)+(2*9)+(1*4)=109
109 % 10 = 9
So 697-94-9 is a valid CAS Registry Number.
InChI:InChI=1/C3H3F3N4/c1-10-2(3(4,5)6)7-8-9-10/h1H3
697-94-9Relevant articles and documents
Positional Selectivity of the Methylation of 5-Substituted Tetrazolate Anions
Spear, Robert J.
, p. 2453 - 2468 (2007/10/02)
The methylation of a series of 15 sodium 5-substituted tetrazolates using iodomethane in acetone/water (4:1) has been studied.The reaction yields both 1- and 2-methyl products, and the ratio of these products is discussed in terms of the nature of the 5-substituent.Electronic and steric effects dominate the reaction pathway; both increased substituent electronegativity and steric bulk lead to predominant methylation at N 2.Sodium 5-ethoxycarbonyltetrazolate (3n) goes against this trend and an intermediate is proposed where the incoming electrophile is associated with the ester carbonyl group.
