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CS-W001157 4
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7-Bromo-3-methyl-1H-indazole

  • CAS No. 1159511-75-7

  • Cat. No. CS-0037244
  • Purity≥98%
  • MDL No.None

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

7-Bromo-3-methyl-1H-indazole|CS-0037244

Structure of 1159511-75-7

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General Information

  • CAS No. 1159511-75-7
  • Cat. No. CS-0037244
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrN₂
  • Molecular Weight 211.06
  • Synonym(s) 7-bromo-3-methyl-2H-indazole
  • SMILES CC1=C2C=CC=C(C2=NN1)Br

Description

7-Bromo-3-methyl-1H-indazole is a heterocyclic building block featuring a brominated indazole core with a methyl group at the 3-position. This electron-deficient scaffold enables direct functionalization in cross-coupling reactions and serves as a key structural motif in medicinal chemistry, particularly for kinase inhibitors and bioactive compound libraries.

Application

7-Bromo-3-methyl-1H-indazole serves as a versatile building block for the synthesis of bioactive heterocycles, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromine handle. The methyl group at the 3-position enhances electronic modulation and offers predictable regioselectivity in further functionalization. Its bench-stable crystalline form facilitates handling and purification, making it suitable for iterative medicinal chemistry campaigns and API intermediate development.

Synthesis

  • Route1

    References

    • Takeda Pharmaceutical Company Limited Patent: US2010/41891 A1, 2010 ; Location in patent: Page/Page column 49; 50 ; US 20100041891 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   28.68
  • LogP   2.63382
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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