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CAS 1416134-59-2

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(S)-ethyl 4-(chloromethyl)-11,11-dimethyl-9-oxo-1-phenyl-2,10-dioxa-3,8-diazadodec-3-ene-7-carboxylate

Description:
The chemical substance known as (S)-ethyl 4-(chloromethyl)-11,11-dimethyl-9-oxo-1-phenyl-2,10-dioxa-3,8-diazadodec-3-ene-7-carboxylate, with the CAS number 1416134-59-2, is a complex organic compound characterized by its unique structural features. It contains multiple functional groups, including an ester, a ketone, and a chloromethyl group, which contribute to its reactivity and potential applications in organic synthesis. The presence of a phenyl group suggests aromatic characteristics, while the diaza and dioxo components indicate potential for coordination chemistry and biological activity. The stereochemistry indicated by the (S) configuration may influence its interaction with biological systems, making it of interest in pharmaceutical research. Additionally, the compound's molecular structure suggests it may exhibit specific solubility and stability properties, which are critical for its use in various chemical reactions or as a potential drug candidate. Overall, this compound exemplifies the complexity and diversity of organic molecules, with implications for both synthetic and medicinal chemistry.
Formula:C20H29ClN2O5
InChI:InChI=1S/C20H29ClN2O5/c1-5-26-18(24)17(22-19(25)28-20(2,3)4)12-11-16(13-21)23-27-14-15-9-7-6-8-10-15/h6-10,17H,5,11-14H2,1-4H3,(H,22,25)/t17-/m0/s1
InChI key:InChIKey=DUOXYKZUGOXAKA-KRWDZBQOSA-N
SMILES:[C@@H](CCC(=NOCC1=CC=CC=C1)CCl)(NC(OC(C)(C)C)=O)C(OCC)=O
Synonyms:
  • (S)-ethyl 4-(chloromethyl)-11,11-dimethyl-9-oxo-1-phenyl-2,10-dioxa-3,8-diazadodec-3-ene-7-carboxylate
  • ethyl (S,E)-5-((benzyloxy)imino)-2-((tert-butoxycarbonyl)amino)-6-chlorohexanoate
  • (S,E)-ethyl 5-((benzyloxy)imino)-2-((tert-butoxycarbonyl)amino)-6-chlorohexanoate
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