CAS 1134327-89-1: 1,1-Dimethylethyl 3,4-dihydro-4-oxo-2(1H)-isoquinolinecarboxylate

Description: 1,1-Dimethylethyl 3,4-dihydro-4-oxo-2(1H)-isoquinolinecarboxylate, identified by its CAS number 1134327-89-1, is a chemical compound that features a complex structure typical of isoquinoline derivatives. This substance is characterized by the presence of a dimethyl group attached to a tert-butyl group, which contributes to its steric bulk and influences its reactivity and solubility. The compound contains a 3,4-dihydro-4-oxo isoquinoline moiety, indicating it has a bicyclic structure with a ketone functional group, which can participate in various chemical reactions, including nucleophilic additions and cycloadditions. Its carboxylate ester functionality suggests potential for hydrolysis under acidic or basic conditions, leading to the release of the corresponding carboxylic acid. The compound may exhibit biological activity, making it of interest in medicinal chemistry, although specific biological properties would require further investigation. Overall, its unique structural features and functional groups make it a candidate for various applications in organic synthesis and pharmaceutical development.

Formula: C₁₄H₁₇NO₃

InChI: InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-8-10-6-4-5-7-11(10)12(16)9-15/h4-7H,8-9H2,1-3H3

InChI key: InChIKey=VDWNRRPJKYCCHY-UHFFFAOYSA-N

SMILES: O=C(OC(C)(C)C)N1CC(=O)C=2C=CC=CC2C1

Synonyms:

• 1,1-Dimethylethyl 3,4-dihydro-4-oxo-2(1H)-isoquinolinecarboxylate
• 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-4-oxo-, 1,1-dimethylethyl ester

2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-4-oxo-, 1,1-dimethylethyl ester

CAS: 1134327-89-1

• Formula: C₁₄H₁₇NO₃
• Color and Shape: Solid
• Molecular weight: 247.2897

4-Oxo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

CAS: 1134327-89-1

• Purity: 98%
• Molecular weight: 247.29400634765625

4-Oxo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

CAS: 1134327-89-1

Versatile small molecule scaffold

• Formula: C₁₄H₁₇NO₃
• Purity: Min. 95%
• Molecular weight: 247.29 g/mol