Lot numbers can be found on the outside label of a product:
2-Chloro-3-methylpyrazine
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CAS No. 95-58-9
- Cat. No. CS-W002135
- Purity≥97%
- MDL No.MFCD00023279
*For research and further manufacturing use only, not for direct human use.
Structure of 95-58-9
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General Information
- CAS No. 95-58-9
- Cat. No. CS-W002135
- Purity ≥97%
- MDL No. MFCD00023279
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₅ClN₂
- Molecular Weight 128.56
- Synonym(s) Pyrazine, 2-chloro-3-methyl-
- SMILES CC(N=CC=N1)=C1Cl
Description
2-Chloro-3-methylpyrazine is a heterocyclic compound featuring a chlorinated pyrazine core with a methyl substituent. This structure imparts enhanced reactivity and stability, enabling its use in synthetic routes to bioactive molecules and agrochemical intermediates. The electron-deficient ring facilitates nucleophilic substitution under mild conditions.
Application
2-Chloro-3-methylpyrazine serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to functionalized pyrazine scaffolds. Its chloro group facilitates nucleophilic substitution reactions, while the methyl substituent enhances metabolic stability and modulates electronic properties. The compound exhibits excellent bench stability and compatibility with standard coupling protocols, facilitating straightforward incorporation into complex molecular architectures.
Synthesis
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Route1
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In-stock
109-08-0 - ~53%
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In-stock
95-58-9
References
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Zeneca Limited Patent: US5861401 A1, 1999 ;
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Route2
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7664-93-9 -
In-stock
19838-07-4 - ~%
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In-stock
95-58-9
References
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US5843942 A1, ;
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Route3
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In-stock
19838-07-4
- ~%
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In-stock
95-58-9
References
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Journal of the American Chemical Society, , vol. 74, p. 1580,1582
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS07
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Signal Word : Danger
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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-H318-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P362-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 25.78
- LogP 1.43842
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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