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CS-W001157 4
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5-Benzothiazolecarboxaldehyde

  • CAS No. 394223-38-2

  • Cat. No. CS-W019778
  • Purity≥97%
  • MDL No.MFCD11858591

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

5-Benzothiazolecarboxaldehyde|CS-W019778

Structure of 394223-38-2

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General Information

  • CAS No. 394223-38-2
  • Cat. No. CS-W019778
  • Purity ≥97%
  • MDL No. MFCD11858591
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NOS
  • Molecular Weight 163.20
  • Synonym(s) Benzo[d]thiazole-5-carbaldehyde
  • SMILES O=CC1=CC=C(SC=N2)C2=C1

Description

5-Benzothiazolecarboxaldehyde features a benzothiazole core linked to an aldehyde group, enabling direct functionalization in heterocyclic synthesis. This electron-deficient scaffold integrates readily into conjugated systems and serves as a key intermediate in the development of bioactive molecules and fluorescent probes.

Application

5-Benzothiazolecarboxaldehyde serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of heterocyclic scaffolds and functionalized aromatic systems. Its aldehyde functionality facilitates nucleophilic addition, condensation reactions, and transition-metal-catalyzed couplings, while the benzothiazole core provides enhanced stability and orthogonal reactivity. The compound exhibits bench stability and compatibility with common protecting groups, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • WO2004/19943 A1, ; Page/Page column 79 ; WO 2004/019943 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   2.1088
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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