Dibenzo[a,e]cyclooctene


Chemical Name: Dibenzo[a,e]cyclooctene
CAS Number: 262-89-5
Product Number: AG002S8M(AGN-PC-0JMOM5)
Synonyms:
MDL No:
Molecular Formula: C16H12
Molecular Weight: 204.2665

Identification/Properties


Computed Properties
Molecular Weight:
204.272g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
0
Exact Mass:
204.094g/mol
Monoisotopic Mass:
204.094g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
228
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The molecule Dibenzo[a,e]cyclooctene, also known as DBACO, plays a crucial role in chemical synthesis as a versatile building block. Its unique structure, featuring two benzene rings fused to a cyclooctene core, imparts distinctive reactivity and functionality, making it a valuable tool for organic synthesis. In chemical transformations, DBACO can undergo a range of reactions such as cycloadditions, oxidative coupling, and functional group manipulations, allowing for the construction of complex molecular frameworks. Its aromatic rings provide opportunities for aromatic functionalization and π-conjugation, while the strained cyclooctene ring can participate in ring-opening reactions to access diverse chemical motifs. Moreover, the rigid and planar structure of DBACO enables its use as a scaffold for designing molecular architectures with specific geometries and spatial arrangements. This molecule is utilized in the synthesis of natural products, pharmaceutical intermediates, and advanced materials due to its ability to introduce structural diversity and control molecular orientation in target molecules.Overall, Dibenzo[a,e]cyclooctene serves as a key building block in chemical synthesis, facilitating the creation of intricate molecules with tailored properties and functionalities. Its versatility and reactivity make it a valuable component in the toolbox of synthetic chemists seeking to develop novel compounds for various applications.