5-Bromo-4-tert-butylpyrimidine

Name: 5-Bromo-4-tert-butylpyrimidine
Brand: ChemScene
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CAS No. 1439-08-3
Cat. No. CS-0060887
Molecule weight215.09
Purity≥97%
MDL No.MFCD17012062

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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-4-tert-butylpyrimidine|CS-0060887

Structure of 1439-08-3

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General Information

CAS No. 1439-08-3
Cat. No. CS-0060887
Purity ≥97%
MDL No. MFCD17012062
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₁BrN₂
Molecular Weight 215.09
Synonym(s) 5-Bromo-4-(tert-butyl)pyrimidine
SMILES CC(C)(C)C1=NC=NC=C1Br

Description

5-Bromo-4-tert-butylpyrimidine features a sterically hindered tert-butyl group at the 4-position and a bromine atom at the 5-position, enabling selective functionalization in heterocyclic synthesis. This electron-deficient pyrimidine derivative integrates readily into medicinal chemistry scaffolds and serves as a key intermediate for transition metal-catalyzed coupling reactions under standard conditions.

Application

5-Bromo-4-tert-butylpyrimidine serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined halogen reactivity. The tert-butyl group provides steric bulk and enhanced stability, while the pyrimidine core offers favorable solubility and functional group tolerance. This compound facilitates efficient synthesis of substituted heterocycles and is particularly valuable for constructing API-relevant scaffolds in drug discovery workflows.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 25.78
LogP 2.5366
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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5-Bromo-4-tert-butylpyrimidine

CAS No. 1439-08-3

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