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CS-W001157 4
Total: USD 88.00

Benzo[d]thiazole-2-carbaldehyde

  • CAS No. 6639-57-2

  • Cat. No. CS-W013251
  • Purity≥97%
  • MDL No.MFCD00526215

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

Benzo[d]thiazole-2-carbaldehyde|CS-W013251

Structure of 6639-57-2

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General Information

  • CAS No. 6639-57-2
  • Cat. No. CS-W013251
  • Purity ≥97%
  • MDL No. MFCD00526215
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NOS
  • Molecular Weight 163.20
  • Synonym(s) 2-Benzothiazolecarboxaldehyde
  • SMILES O=CC1=NC2=CC=CC=C2S1

Description

Benzo[d]thiazole-2-carbaldehyde delivers a rigid, electron-deficient heteroaromatic scaffold ideal for constructing bioactive molecules and functional materials. The aldehyde group enables direct coupling in Ullmann or Suzuki-Miyaura reactions, while the fused thiazole ring enhances stability under standard conditions. This compound serves as a key building block in medicinal chemistry and organic electronics.

Synthesis

  • Route1
    • Benzothiazole, ≥96%|CS-1269066
      95-16-9
    • null|null
      68-12-2
    • ~35%
    • In-stock
      Benzo[d]thiazole-2-carbaldehyde|CS-W013251
      6639-57-2

    References

    • ZENOBIA THERAPEUTICS, INC.; BOUNAUD, Pierre-Yves; NIENABER, Vicki; STEENSMA, Ruo, W.; LOWE, John, A., III Patent: WO2012/178015 A2, 2012 ; Location in patent: Page/Page column 114 ; WO 2012/178015 A2
  • Route2

    References

    • MEDIVIR AB Patent: WO2008/107365 A1, 2008 ; Location in patent: Page/Page column 82 ; WO 2008/107365 A1
  • Route3
    • Benzothiazole, ≥96%|CS-1269066
      95-16-9
    • ~%
    • In-stock
      Benzo[d]thiazole-2-carbaldehyde|CS-W013251
      6639-57-2

    References

    • Tetrahedron Letters, , p. 4113 - 4116

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08
Signal Word : Danger
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H319-H334
Precautionary Statements : P261-P264-P270-P280-P284-P304+P340-P330-P501

Quality Control

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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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