CAS 115654-61-0

Carbamic acid, (1-cyano-2-methylbutyl)-, 1,1-dimethylethyl ester

Description:

Carbamic acid, (1-cyano-2-methylbutyl)-, 1,1-dimethylethyl ester, identified by CAS number 115654-61-0, is an organic compound that belongs to the class of carbamates. This substance features a carbamic acid functional group, which is characterized by the presence of a carbonyl group (C=O) bonded to a nitrogen atom (N). The compound also contains a cyano group (-C≡N) and an ester functional group, indicating that it is formed from the reaction of a carbamic acid with an alcohol. Its structure suggests potential applications in agricultural chemistry, particularly as a pesticide or herbicide, due to the presence of the cyano group, which can enhance biological activity. The compound is likely to exhibit moderate to low solubility in water, typical of many carbamates, and may have specific stability and reactivity profiles influenced by its functional groups. Safety and handling precautions should be observed, as with many chemical substances, due to potential toxicity and environmental impact.

Formula: C₁₁H₂₀N₂O₂

InChI: InChI=1S/C11H20N2O2/c1-6-8(2)9(7-12)13-10(14)15-11(3,4)5/h8-9H,6H2,1-5H3,(H,13,14)

InChI key: InChIKey=FZTVKXQXWQJUTR-UHFFFAOYSA-N

SMILES: C(C(CC)C)(NC(OC(C)(C)C)=O)C#N

Synonyms:

• Boc-Ile-Nitrile
• Boc-L-Ile-Nitrile
• Carbamic acid, (1-cyano-2-methylbutyl)-, 1,1-dimethylethyl ester
• Carbamic acid, (1-cyano-2-methylbutyl)-, 1,1-dimethylethyl ester (9CI)