Lot numbers can be found on the outside label of a product:
3-Bromo-2-chloro-4-methylpyridine
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CAS No. 55404-31-4
- Cat. No. CS-W003152
- Purity≥98%
- MDL No.MFCD04112511
*For research and further manufacturing use only, not for direct human use.
Structure of 55404-31-4
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General Information
- CAS No. 55404-31-4
- Cat. No. CS-W003152
- Purity ≥98%
- MDL No. MFCD04112511
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₅BrClN
- Molecular Weight 206.47
- Synonym(s) 3-bromo-2-chloro-4-methyl-pyridine
- SMILES Cc1ccnc(c1Br)Cl
Description
3-Bromo-2-chloro-4-methylpyridine features a tri-substituted pyridine core with complementary halogen and methyl functionalities, enabling selective cross-coupling reactions. The bromine site facilitates palladium-catalyzed transformations, while the chloro group offers orthogonal reactivity under specific conditions. This molecule serves as a key intermediate in pharmaceutical synthesis due to its stability and predictable reaction profile.
Application
3-Bromo-2-chloro-4-methylpyridine serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling selective functionalization at multiple positions due to its complementary halogen reactivity. The bromo and chloro substituents facilitate palladium-catalyzed cross-coupling reactions, while the methyl group provides a handle for oxidation or further substitution. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for constructing complex heterocyclic scaffolds in multi-step syntheses.
Synthesis
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Route1
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In-stock
133627-45-9 - ~%
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In-stock
55404-31-4
References
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EISAI RandD MANAGEMENT CO., LTD.; Norimine, Yoshihiko; Takeda, Kunitoshi; Hagiwara, Koji; Suzuki, Yuichi; Ishihara, Yuki; Sato, Nobuaki Patent: US2013/143907 A1, 2013 ; Location in patent: Paragraph 0475; 0476 ;
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Route2
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17117-15-6 - ~39%
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In-stock
55404-31-4
References
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PFIZER INC.; BAILEY, Simon; BURKE, Benjamin, Joseph; COLLINS, Michael, Raymond; CUI, Jingrong, Jean; DEAL, Judith, Gail; HOFFMAN, Robert, Louis; HUANG, Qinhua; JOHNSON, Ted, William; KANIA, Robert, Steven; KATH, John, Charles; LE, Phuong, Thi, Quy; MCTIGUE, Michele, Ann; PALMER, Cynthia, Louise; RICHARDSON, Paul, Francis; SACH, Neal, William Patent: WO2013/132376 A1, 2013 ; Location in patent: Page/Page column 175 ;
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Route3
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In-stock
3430-22-6 - ~%
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In-stock
55404-31-4
References
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WO2013/132376 A1, ;
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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 12.89
- LogP 2.80592
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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