Lot numbers can be found on the outside label of a product:
Methyl 3,5-dichloropyrazine-2-carboxylate
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CAS No. 330786-09-9
- Cat. No. CS-W018673
- Purity≥98%
- MDL No.MFCD09953610
*For research and further manufacturing use only, not for direct human use.
Structure of 330786-09-9
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General Information
- CAS No. 330786-09-9
- Cat. No. CS-W018673
- Purity ≥98%
- MDL No. MFCD09953610
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₄Cl₂N₂O₂
- Molecular Weight 207.01
- Synonym(s) Pyrazinecarboxylic acid, 3,5-dichloro-, Methyl ester
- SMILES O=C(C1=NC=C(Cl)N=C1Cl)OC
Description
Methyl 3,5-dichloropyrazine-2-carboxylate features a pyrazine core substituted with chlorine atoms at the 3 and 5 positions and a methyl ester at the 2 position. This electron-deficient heterocycle serves as a robust building block in medicinal chemistry, enabling efficient coupling reactions under standard conditions. The dichloro substitution enhances reactivity in cross-coupling processes, while the ester group provides a handle for further functionalization.
Application
Methyl 3,5-dichloropyrazine-2-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrazine scaffolds. Its dual chloro groups at C3 and C5 positions facilitate sequential nucleophilic substitution reactions, while the ester functionality supports further derivatization. The compound exhibits excellent bench stability and simplifies purification, making it well-suited for iterative coupling strategies in medicinal chemistry and API development.
Synthesis
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Route1
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In-stock
312736-49-5 -
74-88-4 - ~97%
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In-stock
330786-09-9
References
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WO2009/89042 A1, ; Page/Page column 113 ; WO 2009/089042 A1
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Route2
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In-stock
312736-49-5
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18107-18-1
- ~94%
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In-stock
330786-09-9
References
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US2014/107109 A1, ; Page/Page column ;
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Route3
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124-38-9
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In-stock
4774-14-5 -
74-88-4
- ~49%
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In-stock
330786-09-9
References
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Organic Letters, , vol. 15, # 9 p. 2156 - 2159
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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 52.08
- LogP 1.57
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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