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CS-W001157 4
Total: USD 88.00

Coumarin

  • CAS No. 91-64-5

  • Cat. No. CS-8148
  • Purity≥98%
  • MDL No.MFCD00006850

*For research and further manufacturing use only, not for direct human use.

Coumarin|CS-8148

Structure of 91-64-5

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General Information

  • CAS No. 91-64-5
  • Cat. No. CS-8148
  • Purity ≥98%
  • MDL No. MFCD00006850
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆O₂
  • Molecular Weight None
  • Synonym(s) None
  • SMILES O=C1C=CC2=CC=CC=C2O1

Description

ACS Reagent Grade.

Application

Coumarin serves as a versatile scaffold in synthetic organic chemistry, enabling efficient construction of bioactive heterocycles and pharmaceutical intermediates. Its inherent stability and well-defined reactivity facilitate electrophilic substitution, cycloaddition, and transition-metal-catalyzed coupling reactions. The lactone functionality supports selective derivatization, while the aromatic core provides excellent compatibility with diverse functional groups—making it a practical building block for medicinal chemistry and materials science applications.

Synthesis

  • Route1
    • null|null
      201230-82-2
    • 2-Vinylphenol|CS-0136689
      695-84-1
    • ~82%
    • In-stock
      Coumarin|CS-8148
      91-64-5

    References

    • Organic Letters, , vol. 14, # 21 p. 5602 - 5605,4
  • Route2
    • In-stock
      4-Chloro-2H-chromen-2-one|CS-0101677
      17831-88-8
    • ~0%
    • In-stock
      Coumarin|CS-8148
      91-64-5
    • null|null
      118545-81-6

    References

    • Advanced Synthesis and Catalysis, , vol. 349, # 14-15 p. 2353 - 2360
  • Route3

    References

    • Chemistry Letters, , p. 2017 - 2018

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P361+P364-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   30.21
  • LogP   1.793
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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