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tert-Butyl 5-bromopicolinate
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CAS No. 845306-08-3
- Cat. No. CS-0041374
- Purity≥97%
- MDL No.MFCD08436052
*For research and further manufacturing use only, not for direct human use.
Structure of 845306-08-3
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General Information
- CAS No. 845306-08-3
- Cat. No. CS-0041374
- Purity ≥97%
- MDL No. MFCD08436052
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₂BrNO₂
- Molecular Weight 258.11
- Synonym(s) tert-Butyl 5-bromopyridine-2-carboxylate
- SMILES CC(C)(C)OC(=O)C1=NC=C(Br)C=C1
Description
tert-Butyl 5-bromopicolinate features a brominated picoline core with a tert-butyl ester, offering enhanced stability and solubility in organic media. This bench-stable derivative enables efficient late-stage functionalization in heterocyclic synthesis, particularly in palladium-catalyzed cross-coupling reactions. The electron-deficient pyridine ring facilitates regioselective transformations, while the bulky tert-butyl group minimizes undesired side reactions.
Application
tert-Butyl 5-bromopicolinate serves as a versatile building block for the synthesis of brominated heterocycles and bioactive molecules. Its stability under standard reaction conditions enables efficient functionalization via palladium-catalyzed cross-coupling, while the tert-butyl ester offers convenient orthogonal protection and straightforward deprotection. The 5-bromo substituent provides a reliable handle for further diversification in medicinal chemistry and materials science applications.
Synthesis
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Route1
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In-stock
30766-11-1 -
75-65-0 - ~75%
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In-stock
845306-08-3
References
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Pfizer Limited Patent: EP1595881 A1, 2005 ; Location in patent: Page/Page column 62 ; EP 1595881 A1
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Route2
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In-stock
29682-15-3 -
75-65-0
- ~90%
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In-stock
845306-08-3
References
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Martin, Thibaut; Verrier, Cecile; Hoarau, Christophe; Marsais, Francis Organic Letters, 2008 , vol. 10, # 13 p. 2909 - 2912
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Route3
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In-stock
30766-11-1
- ~%
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In-stock
845306-08-3
References
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US2014/94474 A1, ; Page/Page column ;
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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 39.19
- LogP 2.7994
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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