Lot numbers can be found on the outside label of a product:
4-Chloroquinaldine
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CAS No. 4295-06-1
- Cat. No. CS-W017355
- Purity≥98%
- MDL No.MFCD00006757
*For research and further manufacturing use only, not for direct human use.
Structure of 4295-06-1
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General Information
- CAS No. 4295-06-1
- Cat. No. CS-W017355
- Purity ≥98%
- MDL No. MFCD00006757
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₈ClN
- Molecular Weight 177.63
- Synonym(s) None
- SMILES CC1=NC2=CC=CC=C2C(Cl)=C1
Description
4-Chloro-2-methylquinoline is a heterocyclic compound featuring a quinoline core substituted with chlorine at the 4-position and a methyl group at the 2-position. This electron-deficient scaffold integrates readily into transition metal-catalyzed coupling reactions, serving as a key building block in medicinal chemistry and materials science. The fused ring system imparts stability and facilitates π-stacking interactions in target binding.
Application
4-Chloro-2-methylquinoline serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its reactive chlorine substituent. The methyl group at C2 provides regiochemical control and enhances metabolic stability in target scaffolds. Its bench-stable nature and compatibility with diverse functional groups facilitate efficient synthesis of quinoline-based pharmaceuticals and agrochemical intermediates.
Synthesis
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Route1
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In-stock
607-67-0 - ~87%
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In-stock
4295-06-1
References
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Academia Sinica Patent: US2008/171765 A1, 2008 ; Location in patent: Page/Page column 19-20 ;
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Route2
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In-stock
611-35-8 -
917-54-4 - ~90%
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In-stock
4295-06-1
References
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Wolf, Christian; Lerebours, Rachel Journal of Organic Chemistry, 2003 , vol. 68, # 18 p. 7077 - 7084
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References
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EP1308439 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 : 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 3.19662
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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