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CAS 886364-42-7

:

1,1-Dimethylethyl 1,2,3,5-tetrahydro-7-methyl-4H-1,4-benzodiazepine-4-carboxylate

Description:
1,1-Dimethylethyl 1,2,3,5-tetrahydro-7-methyl-4H-1,4-benzodiazepine-4-carboxylate, identified by its CAS number 886364-42-7, is a chemical compound that belongs to the benzodiazepine class. This compound typically exhibits a bicyclic structure, characterized by a fused benzene and diazepine ring, which contributes to its potential biological activity. The presence of the dimethyl group and the carboxylate moiety suggests that it may possess specific steric and electronic properties, influencing its interactions with biological targets. Benzodiazepines are often known for their psychoactive effects, including anxiolytic, sedative, and muscle relaxant properties. The tetrahydro configuration indicates that the compound may be in a saturated form, which can affect its solubility and stability. Additionally, the methyl groups may enhance lipophilicity, potentially impacting its pharmacokinetics. Overall, the characteristics of this compound suggest it may have applications in medicinal chemistry, particularly in the development of therapeutic agents targeting the central nervous system.
Formula:C15H22N2O2
InChI:InChI=1S/C15H22N2O2/c1-11-5-6-13-12(9-11)10-17(8-7-16-13)14(18)19-15(2,3)4/h5-6,9,16H,7-8,10H2,1-4H3
InChI key:InChIKey=KWCCHKFPRQBBFJ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC=2C(NCC1)=CC=C(C)C2
Synonyms:
  • 1,1-Dimethylethyl 1,2,3,5-tetrahydro-7-methyl-4H-1,4-benzodiazepine-4-carboxylate
  • 4-Boc-7-Methyl-2,3,4,5-Tetrahydro-1H-Benzo[E][1,4]Diazepine
  • 4H-1,4-Benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-7-methyl-, 1,1-dimethylethyl ester
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