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CAS 40106-13-6

:

4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-amino-5,6,7,8-tetrahydro-, ethyl ester

Description:
4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-amino-5,6,7,8-tetrahydro-, ethyl ester, identified by CAS number 40106-13-6, is a chemical compound characterized by its unique bicyclic structure that incorporates a thiophene ring fused to a cycloheptane framework. This compound features a carboxylic acid functional group and an ethyl ester moiety, contributing to its potential reactivity and solubility properties. The presence of an amino group enhances its ability to participate in various chemical reactions, including amide formation and nucleophilic substitutions. The tetrahydro configuration indicates that the compound has multiple saturated carbon centers, which may influence its physical properties such as boiling point and melting point. Additionally, the compound's structural features suggest potential applications in organic synthesis, pharmaceuticals, or materials science, particularly in the development of novel compounds with specific biological activities or electronic properties. Overall, the unique combination of functional groups and cyclic structures makes this compound of interest in various fields of chemical research.
Formula:C12H17NO2S
InChI:InChI=1S/C12H17NO2S/c1-2-15-12(14)10-8-6-4-3-5-7-9(8)16-11(10)13/h2-7,13H2,1H3
InChI key:InChIKey=XTUHIGALMIGZST-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C2=C(SC1N)CCCCC2
Synonyms:
  • 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-amino-5,6,7,8-tetrahydro-, ethyl ester
  • NSC 158551
  • Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta(b)thiophene-3-carboxylate
  • Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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