3-Bromo-5-methoxy-1-methyl-1H-indazole

Name: 3-Bromo-5-methoxy-1-methyl-1H-indazole
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CAS No. 1310705-15-7
Cat. No. CS-0131179
Molecule weight241.08
Purity≥98%
MDL No.None

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3-Bromo-5-methoxy-1-methyl-1H-indazole|CS-0131179

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General Information

CAS No. 1310705-15-7
Cat. No. CS-0131179
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉BrN₂O
Molecular Weight 241.08
Synonym(s) 3-bromo-5-methoxy-1-methylindazole
SMILES CN1N=C(Br)C2=C1C=CC(OC)=C2

Description

3-Bromo-5-methoxy-1-methyl-1H-indazole features a brominated indazole core with methoxy and methyl substituents that enhance solubility and electronic tuning. This bench-stable heterocycle integrates readily into cross-coupling reactions, enabling efficient access to functionalized pharmaceutical intermediates.

Application

3-Bromo-5-methoxy-1-methyl-1H-indazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromine substituent. The methoxy and methyl groups provide orthogonal functional handles for further derivatization, while the indazole core offers structural rigidity and hydrogen-bonding capacity relevant to target binding. Bench-stable and readily purified by column chromatography, it facilitates efficient synthesis of complex heterocyclic scaffolds in API development.

Safety Information

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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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 27.05
LogP 2.3444
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Indazole compounds

Key Words

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3-Bromo-5-methoxy-1-methyl-1H-indazole

CAS No. 1310705-15-7

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