5-Bromo-2-isopropoxypyrimidine

Name: 5-Bromo-2-isopropoxypyrimidine
Brand: ChemScene
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CAS No. 121487-12-5
Cat. No. CS-0129920
Purity≥98%
MDL No.MFCD12024885

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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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5-Bromo-2-isopropoxypyrimidine|CS-0129920

Structure of 121487-12-5

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General Information

CAS No. 121487-12-5
Cat. No. CS-0129920
Purity ≥98%
MDL No. MFCD12024885
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₉BrN₂O
Molecular Weight 217.06
Synonym(s) 5-bromo-2-propan-2-yloxypyrimidine
SMILES CC(C)OC1=NC=C(Br)C=N1

Description

5-Bromo-2-isopropoxypyrimidine is a bench-stable pyrimidine derivative featuring a bromine atom at the 5-position and an isopropoxy group at the 2-position. This combination enables selective coupling reactions in synthetic applications, particularly in cross-coupling protocols where halogen-labile sites are required. The electron-deficient ring facilitates nucleophilic substitution under palladium catalysis.

Application

5-Bromo-2-isopropoxypyrimidine serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions to construct biologically relevant pyrimidine scaffolds. The bromine substituent provides high reactivity in Suzuki, Stille, and Negishi couplings, while the isopropoxy group enhances solubility and stability under standard reaction conditions. Its bench-stable nature and compatibility with diverse functional groups make it ideal for modular synthesis of heterocyclic compounds.

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 35.01
LogP 2.0263
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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5-Bromo-2-isopropoxypyrimidine

CAS No. 121487-12-5

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