Lot numbers can be found on the outside label of a product:
Methyl 3-bromo-2-pyridinecarboxylate
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CAS No. 53636-56-9
- Cat. No. CS-W001191
- Purity≥97%
- MDL No.MFCD12025946
*For research and further manufacturing use only, not for direct human use.
Structure of 53636-56-9
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General Information
- CAS No. 53636-56-9
- Cat. No. CS-W001191
- Purity ≥97%
- MDL No. MFCD12025946
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₆BrNO₂
- Molecular Weight 216.03
- Synonym(s) Methyl3-bromopicolinate
- SMILES COC(C1=C(Br)C=CC=N1)=O
Description
Methyl 3-bromo-2-pyridinecarboxylate features a brominated pyridine core enabling direct functionalization in cross-coupling reactions. The ester group provides synthetic versatility, while the electron-deficient ring enhances reactivity toward nucleophiles. This bench-stable reagent integrates efficiently into complex heterocyclic syntheses.
Application
Methyl 3-bromo-2-pyridinecarboxylate serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its reactive bromo group at the C3 position. The ester functionality offers stability and facilitates downstream transformations, including hydrolysis or nucleophilic substitution. Its ortho-pyridine architecture provides a rigid scaffold ideal for constructing bioactive molecules, with broad compatibility across standard synthetic workflows.
Synthesis
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Route1
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In-stock
30683-23-9 - ~84%
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In-stock
53636-56-9
References
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Shinogi and Co., Ltd. Patent: US2011/136833 A1, 2011 ; Location in patent: Page/Page column 27 ;
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Route2
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In-stock
30683-23-9
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74-88-4 - ~70%
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In-stock
53636-56-9
References
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Ladduwahetty, Tamara; MacLeod, Angus Murray; Merchant, Kevin John; Sternfeld, Francine Patent: US2004/6226 A1, 2004 ; Location in patent: Page 11 ;
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Route3
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124-41-4
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In-stock
55758-02-6 - ~%
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In-stock
53636-56-9
References
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EP1726590 A1, ; Page/Page column 85 ;
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Safety Information
Download SDS|
GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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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 : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 39.19
- LogP 1.6307
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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