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CAS 912444-89-4

:

1-(1,1-Dimethylethyl) 4-ethyl 2,3,6,7-tetrahydro-1H-azepine-1,4-dicarboxylate

Description:
1-(1,1-Dimethylethyl) 4-ethyl 2,3,6,7-tetrahydro-1H-azepine-1,4-dicarboxylate, with the CAS number 912444-89-4, is a chemical compound characterized by its complex structure, which includes a bicyclic azepine framework. This compound features multiple functional groups, including ester and carboxylate moieties, contributing to its potential reactivity and solubility properties. The presence of the tert-butyl group (1,1-dimethylethyl) and the ethyl group enhances its steric bulk, which may influence its interactions in biological systems or chemical reactions. The tetrahydroazepine ring indicates that it is a saturated nitrogen-containing heterocycle, which can exhibit unique properties such as basicity and potential for forming hydrogen bonds. This compound may be of interest in medicinal chemistry due to its structural features, which could lead to various biological activities. However, specific data regarding its physical properties, such as melting point, boiling point, and solubility, would require experimental determination or literature references for comprehensive characterization.
Formula:C14H23NO4
InChI:InChI=1S/C14H23NO4/c1-5-18-12(16)11-7-6-9-15(10-8-11)13(17)19-14(2,3)4/h7H,5-6,8-10H2,1-4H3
InChI key:InChIKey=OQQBVXIIESRTAD-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CCC(C(OCC)=O)=CCC1
Synonyms:
  • 1-(1,1-Dimethylethyl) 4-ethyl 2,3,6,7-tetrahydro-1H-azepine-1,4-dicarboxylate
  • 1H-Azepine-1,4-dicarboxylic acid, 2,3,6,7-tetrahydro-, 1-(1,1-dimethylethyl) 4-ethyl ester
  • 1-O-tert-Butyl 4-O-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
  • 1-tert-Butyl 4-ethyl 2,3,6,7-tetrahydro-1H-azepine-1,4-dicarboxylate
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