CAS 850877-61-1

1,1-Dimethylethyl 5-(2-bromoacetyl)-1,3-dihydro-2H-isoindole-2-carboxylate

Description:

1,1-Dimethylethyl 5-(2-bromoacetyl)-1,3-dihydro-2H-isoindole-2-carboxylate, identified by its CAS number 850877-61-1, is a chemical compound that features a complex structure typical of isoindole derivatives. This substance contains a dihydroisoindole core, which is characterized by a bicyclic structure that includes a five-membered ring fused to a six-membered ring. The presence of a bromoacetyl group introduces a halogen, which can influence the compound's reactivity and potential applications in organic synthesis. The ester functional group (carboxylate) suggests that it may participate in various chemical reactions, such as nucleophilic substitutions or hydrolysis. Additionally, the tert-butyl group (1,1-dimethylethyl) contributes to the compound's steric bulk, potentially affecting its solubility and interaction with biological targets. Overall, this compound may be of interest in medicinal chemistry and material science due to its unique structural features and potential reactivity.

Formula: C₁₅H₁₈BrNO₃

InChI: InChI=1S/C15H18BrNO3/c1-15(2,3)20-14(19)17-8-11-5-4-10(13(18)7-16)6-12(11)9-17/h4-6H,7-9H2,1-3H3

InChI key: InChIKey=KNXHDIOGYYWVKQ-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CC=2C(C1)=CC=C(C(CBr)=O)C2

Synonyms:

• 1,1-Dimethylethyl 5-(2-bromoacetyl)-1,3-dihydro-2H-isoindole-2-carboxylate
• 2H-Isoindole-2-carboxylic acid, 5-(2-bromoacetyl)-1,3-dihydro-, 1,1-dimethylethyl ester
• 2H-Isoindole-2-carboxylic acid, 5-(bromoacetyl)-1,3-dihydro-, 1,1-dimethylethyl ester