Lot numbers can be found on the outside label of a product:
2-Bromo-4,6-diphenylpyrimidine
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CAS No. 56181-49-8
- Cat. No. CS-0168407
- Purity≥98%
- MDL No.MFCD00234884
*For research and further manufacturing use only, not for direct human use.
Structure of 56181-49-8
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General Information
- CAS No. 56181-49-8
- Cat. No. CS-0168407
- Purity ≥98%
- MDL No. MFCD00234884
- Storage 4°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₆H₁₁BrN₂
- Molecular Weight 311.18
- Synonym(s) OC1328, 2-Bromo-4,6-diphenylpyrimidine
- SMILES BrC1=NC(C2=CC=CC=C2)=CC(C3=CC=CC=C3)=N1
Description
2-Bromo-4,6-diphenylpyrimidine features a bromine substituent at the 2-position flanked by two phenyl groups on the pyrimidine core. This electron-deficient heterocycle serves as a key scaffold in medicinal chemistry for constructing kinase inhibitors and functionalized pharmaceutical intermediates. The steric bulk of the diphenyl substitution enhances metabolic stability while enabling selective coupling reactions under standard cross-coupling conditions.
Application
2-Bromo-4,6-diphenylpyrimidine serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-defined electrophilic bromine site. The diphenyl substitution enhances stability and modulates reactivity, facilitating functionalization at C4 or C6 positions. Its bench-stable solid form simplifies handling and purification, making it ideal for constructing complex pyrimidine-based scaffolds in medicinal chemistry and materials science applications.
Synthesis
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Route1
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In-stock
40230-24-8 - ~83%
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In-stock
56181-49-8
References
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IDEMITSU KOSAN CO., LTD. Patent: WO2006/67931 A1, 2006 ; Location in patent: Page/Page column 56 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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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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Quality Control
Computational Chemistry Data
- TPSA 25.78
- LogP 4.5731
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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