CymitQuimica logo

CAS 85650-55-1

:

1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrole, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-, (3aR,12bS)-rel-, (2Z)-2-butenedioate (1:1)

Description:
1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrole, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-, (3aR,12bS)-rel-, (2Z)-2-butenedioate (1:1), identified by CAS number 85650-55-1, is a complex organic compound characterized by its unique bicyclic structure that incorporates both oxepine and pyrrole moieties. This compound features a chloro substituent and is stereochemically defined, indicating specific spatial arrangements of its atoms. The presence of the butenedioate moiety suggests potential reactivity, particularly in forming esters or participating in conjugate addition reactions. Its molecular structure may confer interesting properties, such as fluorescence or biological activity, making it of interest in various fields, including medicinal chemistry and materials science. The compound's solubility, stability, and reactivity would depend on its specific functional groups and the overall electronic environment. As with many complex organic compounds, careful handling and characterization are essential for understanding its behavior in different chemical contexts.
Formula:C17H16ClNO·C4H4O4
InChI:InChI=1/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15+;/s2
InChI key:InChIKey=GMDCDXMAFMEDAG-SZRLVUJPNA-N
SMILES:CN1C[C@]2([C@](C=3C(OC=4C2=CC(Cl)=CC4)=CC=CC3)(C1)[H])[H].C(=C\C(O)=O)\C(O)=O
Synonyms:
  • cis-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3:6,7)oxepino(4,5-c)pyrrole maleate
  • 1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrole, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-, (3aR,12bS)-rel-, (2Z)-2-butenedioate (1:1)
  • 1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrole, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-, cis-, (Z)-2-butenedioate (1:1)
Sort by
The purity filter is not visible because current products do not have associated purity data for filtering.
Found 1 products.
  • cis-Asenapine Maleate
    TRC
    + Info

    cis-Asenapine Maleate

    Controlled Product
    CAS:

    Applications cis-Asenapine (Z)-2-Butenedioate can be used in synthetic preparation of amines by activation of amides by chloromethylsilane and redn. with lithium aluminum hydride.
    Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
    References Ravinder, B., et al.: Tetrahedron Lett., 54, 4908-4913 (2013)

    Formula:C17H16ClNO·C4H4O4
    Color and Shape:White To Light Brown
    Molecular weight:401.84

    Ref: TR-A788045

    100mg
    1,235.00€