4-Bromo-5-methoxy-1-methyl-1H-pyrazole

Name: 4-Bromo-5-methoxy-1-methyl-1H-pyrazole
Brand: ChemScene
Availability: InStock
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CAS No. 89717-68-0
Cat. No. CS-0093458
Purity≥98%
MDL No.MFCD22062343

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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4-Bromo-5-methoxy-1-methyl-1H-pyrazole|CS-0093458

Structure of 89717-68-0

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Description

4-Bromo-5-methoxy-1-methyl-1H-pyrazole is a heterocyclic scaffold featuring complementary electron-rich and halogenated sites, enabling selective coupling reactions. The methyl and methoxy groups enhance solubility and stability under standard conditions, while the bromine atom serves as a robust handle for cross-coupling transformations in medicinal chemistry and materials synthesis.

Application

4-Bromo-5-methoxy-1-methyl-1H-pyrazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromo substituent. The methoxy and methyl groups provide orthogonal functional handles for further derivatization, while the pyrazole core offers metabolic stability and favorable pharmacophoric properties. Its bench-stable solid form facilitates handling and purification in routine synthetic workflows.

General Information

CAS No. 89717-68-0
Cat. No. CS-0093458
Purity ≥98%
MDL No. MFCD22062343
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₇BrN₂O
Molecular Weight 191.03
Synonym(s) 4-bromo-5-methoxy-1-methylpyrazole
SMILES CN1N=CC(Br)=C1OC

Computational Chemistry Data

TPSA 27.05
LogP 1.1912
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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4-Bromo-5-methoxy-1-methyl-1H-pyrazole

CAS No. 89717-68-0

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