CAS 116799-24-7

Carbamic acid, (3-cyano-4-pyridinyl)-, 1,1-dimethylethyl ester

Description:

Carbamic acid, (3-cyano-4-pyridinyl)-, 1,1-dimethylethyl ester, identified by CAS number 116799-24-7, is an organic compound characterized by its pyridine ring and carbamate functional group. This compound features a cyano group at the 3-position of the pyridine, which contributes to its chemical reactivity and potential biological activity. The presence of the tert-butyl ester group enhances its lipophilicity, influencing its solubility and permeability in biological systems. Typically, compounds of this nature may exhibit herbicidal or insecticidal properties, making them of interest in agricultural chemistry. The molecular structure suggests potential interactions with biological targets, which could lead to various pharmacological effects. Additionally, the stability of the compound under standard conditions is an important characteristic, as it affects its handling and storage. Overall, the unique combination of functional groups in this compound contributes to its potential applications in both agricultural and medicinal chemistry.

Formula: C₁₁H₁₃N₃O₂

InChI: InChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)14-9-4-5-13-7-8(9)6-12/h4-5,7H,1-3H3,(H,13,14,15)

InChI key: InChIKey=TUBXRNXUXJRXTR-UHFFFAOYSA-N

SMILES: N(C(OC(C)(C)C)=O)C=1C(C#N)=CN=CC1

Synonyms:

• 4-(tert-Butoxycarbonylamino)-3-pyridinecarbonitrile
• Carbamic acid, (3-cyano-4-pyridinyl)-, 1,1-dimethylethyl ester