Lot numbers can be found on the outside label of a product:
4-bromo-2-tert-butylpyridine
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CAS No. 1086381-30-7
- Cat. No. CS-W000454
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 1086381-30-7
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General Information
- CAS No. 1086381-30-7
- Cat. No. CS-W000454
- Purity ≥98%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₂BrN
- Molecular Weight 214.10
- Synonym(s) 4-Bromo-2-tert-butylpyridine
- SMILES CC(C)(C)c1cc(Br)ccn1
Description
4-Bromo-2-(tert-butyl)pyridine features a sterically hindered tert-butyl group flanking a brominated pyridine core, enabling selective cross-coupling reactions under standard conditions. This bench-stable scaffold integrates readily into complex molecular architectures, particularly in pharmaceutical and agrochemical synthesis where controlled reactivity and steric protection are critical.
Application
4-Bromo-2-(tert-butyl)pyridine serves as a versatile building block in cross-coupling reactions, enabling efficient access to substituted pyridine scaffolds. The bromine at the 4-position facilitates palladium-catalyzed coupling with boronic acids, while the sterically hindered tert-butyl group at the 2-position enhances stability and modulates electronic properties. This compound exhibits excellent bench stability, simplifies purification, and is compatible with a broad range of functional groups, making it ideal for medicinal chemistry and process development workflows.
Synthesis
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Route1
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3282-30-2 - ~%
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In-stock
1086381-30-7
References
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NOVARTIS AG; GALLOU, Isabelle Sylvie; GAUER, Cornelius; STOWASSER, Frank Patent: WO2012/16970 A1, 2012 ; WO 2012/016970 A1 Title/Abstract Full Text Show Details NOVARTIS AG; GALLOU, Isabelle Sylvie; GAUER, Cornelius; STOWASSER, Frank Patent: WO2012/175522 A1, 2012 ;
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Route2
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74628-14-1 - ~%
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In-stock
1086381-30-7
References
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NOVARTIS AG; GALLOU, Isabelle Sylvie; GAUER, Cornelius; STOWASSER, Frank Patent: WO2012/16970 A1, 2012 ; WO 2012/016970 A1 Title/Abstract Full Text Show Details NOVARTIS AG; GALLOU, Isabelle Sylvie; GAUER, Cornelius; STOWASSER, Frank Patent: WO2012/175522 A1, 2012 ;
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Route3
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In-stock
75-98-9 - ~%
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In-stock
1086381-30-7
References
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Furet, Pascal; Guagnano, Vito; Fairhurst, Robin A.; Imbach-Weese, Patricia; Bruce, Ian; Knapp, Mark; Fritsch, Christine; Blasco, Francesca; Blanz, Joachim; Aichholz, Reiner; Hamon, Jacques; Fabbro, Doriano; Caravatti, Giorgio Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 13 p. 3741 - 3748
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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 3.1416
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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