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CAS 149353-73-1

:

3-(1,1-Dimethylethyl) 1,2,4,5-tetrahydro-3H-3-benzazepine-3,7-dicarboxylate

Description:
3-(1,1-Dimethylethyl) 1,2,4,5-tetrahydro-3H-3-benzazepine-3,7-dicarboxylate, with the CAS number 149353-73-1, is a chemical compound that belongs to the class of benzazepines, which are bicyclic compounds featuring a benzene ring fused to a seven-membered nitrogen-containing ring. This specific compound is characterized by the presence of two carboxylate groups, which contribute to its potential acidity and reactivity. The tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, potentially influencing its solubility and biological activity. The tetrahydro structure indicates that the compound is partially saturated, which may affect its conformational flexibility and stability. Such compounds often exhibit interesting pharmacological properties, making them of interest in medicinal chemistry. However, detailed information regarding its specific applications, toxicity, and biological effects would require further investigation through scientific literature and databases.
Formula:C16H21NO4
InChI:InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-8-6-11-4-5-13(14(18)19)10-12(11)7-9-17/h4-5,10H,6-9H2,1-3H3,(H,18,19)
InChI key:InChIKey=CJOYUDHDAPSYRD-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C=C2C(CCN(C(OC(C)(C)C)=O)CC2)=CC1
Synonyms:
  • 3H-3-Benzazepine-3,7-dicarboxylic acid, 1,2,4,5-tetrahydro-, 3-(1,1-dimethylethyl) ester
  • 3-[(tert-Butoxy)carbonyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid
  • 3-(1,1-Dimethylethyl) 1,2,4,5-tetrahydro-3H-3-benzazepine-3,7-dicarboxylate
  • 3-[[(1,1-Dimethylethyl)oxy]carbonyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid
  • 3-(tert-Butoxycarbonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-carboxylic acid
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