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tert-Butyl (6-chloropyridin-3-yl)carbamate
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CAS No. 171178-45-3
- Cat. No. CS-0036498
- Purity≥98%
- MDL No.MFCD08062421
*For research and further manufacturing use only, not for direct human use.
Structure of 171178-45-3
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General Information
- CAS No. 171178-45-3
- Cat. No. CS-0036498
- Purity ≥98%
- MDL No. MFCD08062421
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₃ClN₂O₂
- Molecular Weight 228.68
- Synonym(s) tert-butyl N-(6-chloropyridin-3-yl)carbamate
- SMILES CC(C)(C)OC(=NC1=CN=C(C=C1)Cl)O
Description
tert-Butyl (6-chloropyridin-3-yl)carbamate features a chlorine-substituted pyridine core with a robust tert-butyl carbamate protecting group. This combination enables stable incorporation of the pyridyl scaffold in multistep synthesis, particularly under basic conditions. The electron-deficient pyridine ring facilitates nucleophilic substitution reactions, while the carbamate moiety allows for selective deprotection via mild acidolysis.
Application
tert-Butyl (6-chloropyridin-3-yl)carbamate serves as a versatile building block in medicinal chemistry, enabling efficient introduction of a chloropyridine moiety with orthogonal protection. The carbamate group provides bench stability and facilitates selective deprotection under mild acidic conditions. It reacts reliably in Pd-catalyzed cross-coupling reactions and participates in electrophilic substitutions, supporting the construction of complex heterocyclic scaffolds commonly found in pharmaceutical intermediates.
Synthesis
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References
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VERTEX PHARMACEUTICALS INCORPORATED Patent: US2009/253736 A1, 2009 ; Location in patent: Page/Page column 24 ;
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Route2
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In-stock
5326-23-8 -
75-65-0 - ~83%
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In-stock
171178-45-3
References
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Cockerill, Stuart; Stubberfield, Colin; Stables, Jeremy; Carter, Malcolm; Guntrip, Stephen; Smith, Kathryn; McKeown, Steve; Shaw, Robert; Topley, Peter; Thomsen, Lindy; Affleck, Karen; Jowett, Amanda; Hayes, David; Willson, Malcolm; Woollard, Patrick; Spalding, David Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 11 p. 1401 - 1405
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Route3
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1044148-99-3 - ~68%
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In-stock
171178-45-3
References
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Liu, Yahua; Ding, Qiang; Wu, Xu Journal of Organic Chemistry, 2008 , vol. 73, # 15 p. 6025 - 6028
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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 54.71
- LogP 3.0956
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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