CAS 1707365-30-7

1,3,8-Triazaspiro[4.5]dec-1-ene-8-carboxylic acid, 2-methyl-4-oxo-, 1,1-dimethylethyl ester

Description:

1,3,8-Triazaspiro[4.5]dec-1-ene-8-carboxylic acid, 2-methyl-4-oxo-, 1,1-dimethylethyl ester, identified by its CAS number 1707365-30-7, is a chemical compound characterized by its unique spirocyclic structure, which incorporates a triazole moiety. This compound features a carboxylic acid derivative, indicating the presence of a carboxyl functional group, and an ester linkage, suggesting it is formed from the reaction of an alcohol and a carboxylic acid. The presence of a 2-methyl-4-oxo group indicates that it may exhibit keto-enol tautomerism, which can influence its reactivity and stability. The compound's spiro structure contributes to its rigidity and may affect its biological activity, making it of interest in medicinal chemistry. Additionally, the presence of dimethylethyl groups suggests potential lipophilicity, which can enhance membrane permeability. Overall, this compound's unique structural features may confer specific chemical properties and biological activities, making it a subject of interest for further research in various applications, including pharmaceuticals and agrochemicals.

Formula: C₁₃H₂₁N₃O₃

InChI: InChI=1S/C13H21N3O3/c1-9-14-10(17)13(15-9)5-7-16(8-6-13)11(18)19-12(2,3)4/h5-8H2,1-4H3,(H,14,15,17)

InChI key: InChIKey=BAKABJIIIWVUPV-UHFFFAOYSA-N

SMILES: O=C1C2(CCN(C(OC(C)(C)C)=O)CC2)NC(C)=N1

Synonyms:

• 1,3,8-Triazaspiro[4.5]dec-1-ene-8-carboxylic acid, 2-methyl-4-oxo-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
• tert-Butyl 2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

tert-Butyl 2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

CAS: 1707365-30-7

tert-Butyl 2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

Purity: ≥95%

Molecular weight: 267.32g/mol

Ref: 54-OR306675