11-Chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one


Chemical Name: 11-Chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
CAS Number: 1012884-46-6
Product Number: AG00044W(AGN-PC-0MXQR0)
Synonyms:
MDL No:
Molecular Formula: C17H12ClNO2
Molecular Weight: 297.7357

Identification/Properties


Computed Properties
Molecular Weight:
297.738g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
297.056g/mol
Monoisotopic Mass:
297.056g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
489
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



11-Chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, commonly referred to as $name$, serves as a crucial building block in chemical synthesis due to its unique structural characteristics and reactivity. This compound is frequently utilized in the creation of various organic molecules and pharmaceuticals, owing to its versatile nature and ability to participate in a range of synthetic transformations.In chemical synthesis, $name$ can act as a key intermediate in the formation of complex heterocyclic compounds through diverse reactions such as cyclization, alkylation, and condensation processes. Its chlorinated and methylated structural moieties play a significant role in facilitating the modification and functionalization of the resulting products, allowing for the introduction of specific chemical groups or properties.Moreover, the presence of the dibenzo[b,d]furan scaffold in $name$ provides a synthetic platform for the construction of biologically active molecules and natural product derivatives. By incorporating this structural motif into target compounds, chemists can access a wide range of potential therapeutic agents or pharmacological compounds with enhanced bioactivity and molecular diversity.Overall, 11-Chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one plays a crucial role in advancing chemical synthesis by enabling the efficient and strategic assembly of complex molecular structures with specific functional groups and pharmacological properties essential for drug discovery and material science applications.