Lot numbers can be found on the outside label of a product:
Methyl 6-bromo-5-fluoropicolinate
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CAS No. 1210419-26-3
- Cat. No. CS-0081033
- Purity≥97%
- MDL No.MFCD14698111
*For research and further manufacturing use only, not for direct human use.
Structure of 1210419-26-3
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General Information
- CAS No. 1210419-26-3
- Cat. No. CS-0081033
- Purity ≥97%
- MDL No. MFCD14698111
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₅BrFNO₂
- Molecular Weight 234.02
- Synonym(s) Methyl 6-bromo-5-fluoropyridine-2-carboxylate
- SMILES COC(C1=CC=C(F)C(Br)=N1)=O
Description
Methyl 6-bromo-5-fluoropicolinate is a fluorinated heterocyclic ester featuring strategic halogen substitution at the 6-position (bromine) and 5-position (fluorine), enabling selective cross-coupling reactions. This bench-stable, moisture-tolerant building block integrates readily into complex molecular architectures via palladium-catalyzed transformations, offering enhanced reactivity and regiocontrol in synthetic workflows.
Application
Methyl 6-bromo-5-fluoropicolinate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The bromine and fluorine substituents provide complementary functionalization handles, facilitating sequential transformations. Its bench-stable nature and ease of purification support reliable use in medicinal chemistry campaigns and API intermediate development.
Synthesis
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Route1
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In-stock
1052714-46-1 - ~%
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In-stock
1210419-26-3
References
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Burger, Matthew; Ding, Yu; Han, Wooseok; Nishiguchi, Gisele; Rico, Alice; Simmons, Robert Lowell; Smith, Aaron R.; Tamez, JR., Victoriano; Tanner, Huw; Wan, Lifeng Patent: US2012/225061 A1, 2012 ; US 20120225061 A1 Title/Abstract Full Text Show Details Burger, Matthew; Nishiguchi, Gisele; Machajewski, Timothy D.; Rico, Alice; Simmons, Robert Lowell; Smith, Aaron R.; Tamez, JR., Victoriano; Tanner, Huw; Wan, Lifeng Patent: US2012/225062 A1, 2012 ; US 20120225062 A1
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Route2
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In-stock
374633-36-0 - ~%
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In-stock
1210419-26-3
References
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Burger, Matthew; Ding, Yu; Han, Wooseok; Nishiguchi, Gisele; Rico, Alice; Simmons, Robert Lowell; Smith, Aaron R.; Tamez, JR., Victoriano; Tanner, Huw; Wan, Lifeng Patent: US2012/225061 A1, 2012 ; US 20120225061 A1 Title/Abstract Full Text Show Details NOVARTIS AG; BURGER, Matthew; DRUMM III, Joseph; NISHIGUCHI, Gisele; RICO, Alice; SIMMONS, Robert Lowell; TAFT, Benjamin; TANNER, Huw Patent: WO2013/175388 A1, 2013 ; Title/Abstract Full Text Show Details NOVARTIS AG; BURGER, Matthew; NISHIGUCHI, Gisele; RICO, Alice; SIMMONS, Robert Lowell; TAMEZ, JR., Victoriano; TANNER, Huw; WAN, Lifeng Patent: WO2014/33631 A1, 2014 ;
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Route3
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67-56-1 -
In-stock
1052714-46-1
- ~97%
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In-stock
1210419-26-3
References
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Burger, Matthew; Nishiguchi, Gisele; Machajewski, Timothy D.; Rico, Alice; Simmons, Robert Lowell; Smith, Aaron R.; Tamez, JR., Victoriano; Tanner, Huw; Wan, Lifeng Patent: US2012/225062 A1, 2012 ; Location in patent: Page/Page column 26; 27 ; US 20120225062 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 : P264-P270-P330
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Quality Control
Computational Chemistry Data
- TPSA 39.19
- LogP 1.7698
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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