Lot numbers can be found on the outside label of a product:
4-Chloro-3-(pyridin-2-yl)aniline
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CAS No. 879088-41-2
- Cat. No. CS-0057191
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 879088-41-2
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General Information
- CAS No. 879088-41-2
- Cat. No. CS-0057191
- Purity ≥98%
- MDL No. None
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₉ClN₂
- Molecular Weight 204.66
- Synonym(s) 4-chloro-3-pyridin-2-ylphenylamine
- SMILES C1=CC=NC(=C1)C2=C(C=CC(=C2)N)Cl
Description
4-Chloro-3-(pyridin-2-yl)aniline features a pyridin-2-yl group conjugated to an electron-deficient aniline scaffold, enabling efficient coupling in transition metal catalysis. The ortho-chloro substituent enhances reactivity in cross-coupling reactions, while the nitrogen-containing heterocycle provides directional coordination for palladium catalysts. This scaffold integrates readily into complex molecular architectures used in pharmaceutical and agrochemical development.
Application
4-Chloro-3-(pyridin-2-yl)aniline serves as a versatile building block in medicinal chemistry, enabling the construction of biologically relevant heterocyclic scaffolds. Its ortho-chloro and aniline functionalities facilitate palladium-catalyzed cross-coupling reactions and direct functionalization, offering high reactivity with minimal side products. The molecule exhibits excellent bench stability and ease of purification, making it well-suited for iterative synthesis workflows in API development.
Synthesis
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Route1
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In-stock
879088-40-1 - ~95%
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In-stock
879088-41-2
References
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Gunzner, Janet L.; Sutherlin, Daniel; Stanley, Mark S.; Bao, Liang; Castanedo, Georgette M.; Lalonde, Rebecca L.; Wang, Shumei; Reynolds, Mark E.; Savage, Scott J.; Malesky, Kimberly; Dina, Michael S. Patent: US2006/63779 A1, 2006 ; Location in patent: Page/Page column 74 ;
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Route2
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109-04-6 -
In-stock
1350842-61-3 - ~99%
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In-stock
879088-41-2
References
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Genetech, Inc.; Curis, Inc.; Cai, Xiong; Qian, Changgeng; Zhai, Haixiao Patent: US2014/18368 A1, 2014 ; Location in patent: Paragraph 0162; 0166 ;
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Route3
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In-stock
573764-31-5 - ~%
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In-stock
879088-41-2
References
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Genetech, Inc.; Curis, Inc.; Cai, Xiong; Qian, Changgeng; Zhai, Haixiao Patent: US2014/18368 A1, 2014 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05
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Signal Word : Danger
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UN#: 3261
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H314
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Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 38.91
- LogP 2.9842
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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