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TCI

CAS 16691-79-5

2,5-Bis(methoxycarbonyl)-3,4-diphenylcyclopentadienone TCI B1962

2,5-Bis(methoxycarbonyl)-3,4-diphenylcyclopentadienone TCI B1962

Chemical Identity

CAS No.
16691-79-5
PubChem
CID 2825971·SID 87564845
Formula
C21H16O5
Molecular weight
348.3 g/mol
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
dimethyl 2-oxo-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate
SMILES
COC(=O)C1=C(C(=C(C1=O)C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3
InChIKey
NTXFYWYVVGMAGT-UHFFFAOYSA-N
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2,5-Bis(methoxycarbonyl)-3,4-diphenylcyclopentadienone is a chemical compound widely used in organic laboratory settings for its versatile reactivity and structural complexity. This compound serves as a building block in the synthesis of more complex molecules, making it essential for researchers and students engaged in organic chemistry and drug synthesis. Its unique molecular structure enables participation in various reaction types, including substitution and coupling reactions, which are fundamental to the development of new chemical compounds.

The compound’s stable molecular framework and controlled reactivity make it a preferred choice for specialized chemical reactions. Its ability to participate in reactions such as Diels-Alder and substitution reactions highlights its importance in synthetic pathways. The predictable behavior under different reaction conditions ensures reliable results, which is crucial for both academic and industrial research. This stability and reactivity contribute to its popularity among chemists working in diverse fields.

In Indonesian laboratories, this compound is commonly used by researchers and students in the fields of organic chemistry and pharmaceutical synthesis. Its availability in the local market supports ongoing research and educational activities. Its role in building complex molecules makes it a valuable resource for both teaching and practical experimentation in chemical research settings.

Advantages (TCI brochure)

  • Highly reactive with various dienophiles
  • Can be converted to multi-substituted acenes by Diels-Alder cycloaddition with arynes or alkynes and subsequent decarbonylative aromatization

  • Organic synthesis of complex molecules due to its reactivity and structural versatility.
  • Drug development processes where precise chemical building blocks are required.
  • Educational experiments in undergraduate and graduate chemistry courses.
  • Research applications in pharmaceutical and medicinal chemistry fields.
  • Coupling and substitution reactions in synthetic organic chemistry protocols.

From the TCI brochure

  • Conversion to multi-substituted acenes via Diels-Alder cycloaddition with arynes or alkynes and decarbonylative aromatization

Brand TCI
CAS number 16691-79-5
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes Available in various quantities as per standard laboratory supply formats.
Physical form Solid, typically in crystalline or powder form.
Storage Store in a cool, dry place away from direct light and moisture.

This compound should be stored in a cool, dry environment to maintain its stability and prevent degradation. It is recommended to use airtight containers to protect it from moisture and air exposure. Proper labeling of storage containers is essential for safety and traceability. Due to its chemical nature, it should be handled with appropriate personal protective equipment, such as gloves and safety goggles. Avoid direct contact with skin and eyes, and ensure adequate ventilation in the workspace. Regular inspection of storage conditions ensures the compound remains in optimal condition for use in laboratory applications.

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