CAS 73963-43-6

5-(Chloromethyl)-1-(phenylmethyl)-1H-tetrazole

Description:

5-(Chloromethyl)-1-(phenylmethyl)-1H-tetrazole is a chemical compound characterized by its tetrazole ring, which is a five-membered heterocyclic structure containing four nitrogen atoms and one carbon atom. The presence of a chloromethyl group (-CH2Cl) at the 5-position and a phenylmethyl group (-C6H5CH2) at the 1-position contributes to its reactivity and potential applications in organic synthesis and medicinal chemistry. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar organic solvents. Its structure suggests potential for nucleophilic substitution reactions due to the electrophilic nature of the chloromethyl group. Additionally, the tetrazole moiety is known for its ability to form stable complexes with metal ions and its use in various pharmaceutical applications, including as a scaffold for drug development. Safety data should be consulted for handling, as the chloromethyl group can pose hazards. Overall, this compound represents a versatile building block in synthetic organic chemistry.

Formula: C₉H₉ClN₄

InChI: InChI=1S/C9H9ClN4/c10-6-9-11-12-13-14(9)7-8-4-2-1-3-5-8/h1-5H,6-7H2

InChI key: InChIKey=GAXBVDIQHTZHGF-UHFFFAOYSA-N

SMILES: C(N1C(CCl)=NN=N1)C2=CC=CC=C2

Synonyms:

• 1-Benzyl-5-(chloromethyl)tetrazole
• 1H-Tetrazole, 5-(chloromethyl)-1-(phenylmethyl)-
• 1-Benzyl-5-chloromethyl-1H-tetrazole
• 1H-Tetrazole, 1-benzyl-5-(chloromethyl)-
• 5-(Chloromethyl)-1-(phenylmethyl)-1H-tetrazole