CAS 227279-14-3

5-(Chloromethyl)-2-(1,1-dimethylethyl)-2H-tetrazole

Description:

5-(Chloromethyl)-2-(1,1-dimethylethyl)-2H-tetrazole, with the CAS number 227279-14-3, is a chemical compound characterized by its tetrazole ring, which is a five-membered heterocyclic structure containing four nitrogen atoms and one carbon atom. This compound features a chloromethyl group (-CH2Cl) and a tert-butyl group (-C(CH3)3) attached to the tetrazole ring, contributing to its unique reactivity and physical properties. The presence of the chloromethyl group makes it a potential electrophile, which can participate in nucleophilic substitution reactions. The tert-butyl group enhances the compound's lipophilicity and steric bulk, influencing its solubility and interaction with biological systems. Generally, tetrazole derivatives are of interest in medicinal chemistry due to their diverse biological activities, including antimicrobial and anti-inflammatory properties. The stability of this compound under various conditions, as well as its potential applications in pharmaceuticals or agrochemicals, would depend on its specific reactivity and the functional groups present.

Formula: C₆H₁₁ClN₄

InChI: InChI=1S/C6H11ClN4/c1-6(2,3)11-9-5(4-7)8-10-11/h4H2,1-3H3

InChI key: InChIKey=GTKYTWWTFOXCBF-UHFFFAOYSA-N

SMILES: C(C)(C)(C)N1N=C(CCl)N=N1

Synonyms:

• 5-Chloromethyl-2-tert-butyl-2H-tetrazole
• 5-(Chloromethyl)-2-(1,1-dimethylethyl)-2H-tetrazole
• 2-tert-Butyl-5-(chloromethyl)-2H-1,2,3,4-tetrazole
• 2H-Tetrazole, 5-(chloromethyl)-2-(1,1-dimethylethyl)-

2-tert-Butyl-5-(chloromethyl)-2H-1,2,3,4-tetrazole

CAS: 227279-14-3

Versatile small molecule scaffold

Formula: C₆H₁₁ClN₄

Purity: Min. 95%

Molecular weight: 174.63 g/mol

Ref: 3D-CJA27914