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CS-W001157 4
Total: USD 88.00

6-Isopropyl-1,3-benzothiazol-2-amine

  • CAS No. 32895-14-0

  • Cat. No. CS-0207074
  • Purity≥98%
  • MDL No.MFCD00183946

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

6-Isopropyl-1,3-benzothiazol-2-amine|CS-0207074

Structure of 32895-14-0

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General Information

  • CAS No. 32895-14-0
  • Cat. No. CS-0207074
  • Purity ≥98%
  • MDL No. MFCD00183946
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂S
  • Molecular Weight 192.28
  • Synonym(s) 6-Isopropyl-benzothiazol-2-ylamine
  • SMILES NC1=NC2=CC=C(C(C)C)C=C2S1

Description

6-Isopropyl-1,3-benzothiazol-2-amine features a sterically hindered isopropyl group that enhances solubility and stability in organic media. The benzothiazole core provides robust electron-rich character, enabling efficient integration into functionalized heterocycles. This scaffold serves as a key building block for advanced ligands and pharmaceutical intermediates under standard bench conditions.

Application

6-Isopropyl-1,3-benzothiazol-2-amine serves as a versatile scaffold for heterocyclic synthesis, enabling efficient access to benzothiazole-based compounds with enhanced solubility and metabolic stability. Its isopropyl substituent provides steric bulk that modulates reactivity and improves crystallinity, while the primary amine functionality facilitates straightforward derivatization via acylation, alkylation, or coupling reactions. This compound exhibits bench stability and is readily purified by recrystallization or column chromatography, making it a practical building block for medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2005/70920 A1, 2005 ; Location in patent: Page/Page column 144 ; WO 2005/070920 A1
  • Route2
    • In-stock
      4-Isopropylaniline|CS-W020082
      99-88-7
    • null|null
      333-20-0
    • ~49%
    • In-stock
      6-Isopropyl-1,3-benzothiazol-2-amine|CS-0207074
      32895-14-0

    References

    • Hays; Rice; Ortwine; Johnson; Schwarz; Boyd; Copeland; Vartanian; Boxer Journal of Pharmaceutical Sciences, 1994 , vol. 83, # 10 p. 1425 - 1432

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.91
  • LogP   3.0019
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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