Lot numbers can be found on the outside label of a product:
Pyrazine-2-carbaldehyde
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CAS No. 5780-66-5
- Cat. No. CS-W009118
- Purity≥95%
- MDL No.MFCD02179278
*For research and further manufacturing use only, not for direct human use.
Structure of 5780-66-5
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General Information
- CAS No. 5780-66-5
- Cat. No. CS-W009118
- Purity ≥95%
- MDL No. MFCD02179278
- Storage -20°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₄N₂O
- Molecular Weight 108.10
- Synonym(s) None
- SMILES O=CC1=NC=CN=C1
Description
Pyrazine-2-carbaldehyde delivers a highly reactive aldehyde functionality positioned within a nitrogen-rich heterocyclic framework. This configuration enables direct incorporation into diverse synthetic sequences, particularly in transition-metal-catalyzed couplings and multicomponent reactions. The molecule exhibits enhanced stability under standard conditions while maintaining high electrophilicity at the carbonyl site, facilitating efficient conjugation with nucleophiles. Its unique electronic profile supports applications in ligand design and functional material synthesis.
Application
Pyrazine-2-carbaldehyde serves as a versatile heterocyclic building block in synthetic organic chemistry, enabling direct incorporation of both aldehyde and pyrazine functionalities into complex molecular architectures. Its reactivity facilitates nucleophilic additions, condensation reactions, and transition-metal-catalyzed couplings, particularly useful in medicinal chemistry and materials science applications. The compound exhibits bench stability and moderate solubility, simplifying handling and purification in standard laboratory workflows.
Synthesis
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Route1
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In-stock
6164-79-0 - ~99%
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In-stock
5780-66-5
References
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ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2005/40159 A1, 2005 ; Location in patent: Page/Page column 212-213 ; WO 2005/040159 A1
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Route2
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67936-72-5 -
In-stock
593-56-6 - ~%
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In-stock
5780-66-5
References
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US4327213 A1, ;
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Route3
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98-97-5 - ~%
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In-stock
5780-66-5
References
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Journal of the American Chemical Society, , vol. 112, # 17 p. 6248 - 6254
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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 42.85
- LogP 0.2891
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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