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CAS 50621-08-4

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Ethyl 2-(hexahydro-2H-azepin-2-ylidene)acetate

Description:
Ethyl 2-(hexahydro-2H-azepin-2-ylidene)acetate, identified by its CAS number 50621-08-4, is an organic compound characterized by its unique structure, which includes an ethyl ester functional group and a hexahydroazepine moiety. This compound typically exhibits a moderate polarity due to the presence of both hydrophobic (alkyl) and hydrophilic (ester) components. It is likely to be a colorless to pale yellow liquid, with a characteristic odor. The presence of the azepine ring suggests potential reactivity, particularly in nucleophilic substitution or cyclization reactions. Ethyl 2-(hexahydro-2H-azepin-2-ylidene)acetate may have applications in organic synthesis, potentially serving as an intermediate in the production of pharmaceuticals or agrochemicals. Its solubility in organic solvents and limited solubility in water are typical for compounds of this nature. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.
Formula:C10H17NO2
InChI:InChI=1S/C10H17NO2/c1-2-13-10(12)8-9-6-4-3-5-7-11-9/h8,11H,2-7H2,1H3
InChI key:InChIKey=BRZCSNCXDNQBNN-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)=C1CCCCCN1
Synonyms:
  • Acetic acid, (hexahydro-2H-azepin-2-ylidene)-, ethyl ester
  • Acetic acid, 2-(hexahydro-2H-azepin-2-ylidene)-, ethyl ester
  • Ethyl 2-(hexahydro-2H-azepin-2-ylidene)acetate
  • Ethyl Azepan-2-Ylideneacetate
  • ethyl (2E)-azepan-2-ylideneethanoate
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