Lot numbers can be found on the outside label of a product:
2,4-Dichloro-7-(trifluoromethyl)quinazoline
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CAS No. 396-02-1
- Cat. No. CS-0052155
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 396-02-1
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General Information
- CAS No. 396-02-1
- Cat. No. CS-0052155
- Purity ≥97%
- MDL No. None
- Storage -20°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₃Cl₂F₃N₂
- Molecular Weight 267.03
- Synonym(s) 2,4-Dichloro-7-(trifluoromethyl)
- SMILES FC(F)(F)C1=CC2=C(C=C1)C(Cl)=NC(Cl)=N2
Description
2,4-Dichloro-7-(trifluoromethyl)quinazoline features a trifluoromethyl group that enhances metabolic stability and lipophilicity, while the dichloro substitution pattern supports targeted electrophilic functionalization. This quinazoline scaffold serves as a privileged core in kinase inhibitor design, enabling efficient integration into bioactive molecules under standard coupling conditions.
Application
2,4-Dichloro-7-(trifluoromethyl)quinazoline serves as a versatile building block in medicinal chemistry, enabling efficient construction of kinase inhibitors and heterocyclic scaffolds. The dichloro substitution pattern facilitates selective nucleophilic aromatic substitution, while the trifluoromethyl group enhances metabolic stability and modulates electronic properties. Its bench-stable nature and compatibility with standard coupling reactions make it ideal for parallel synthesis campaigns and API development workflows.
Synthesis
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Route1
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3833-78-1 - ~24%
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In-stock
396-02-1
References
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Raynham, Tony Michael; Hammonds, Timothy Robin; Gilliatt, Julia Helen; Charles, Mark David; Pave, Gregoire Alexandre; Foxton, Caroline Heather; Carr, James Lindsay; Mistry, Neela Sumit Patent: US2009/247519 A1, 2009 ; Location in patent: Page/Page column 124 ;
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Route2
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In-stock
778-94-9 - ~%
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In-stock
396-02-1
References
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Suez, Gal; Bloch, Victoria; Nisnevich, Gennady; Gandelman, Mark European Journal of Organic Chemistry, 2012 , # 11 p. 2118 - 2122
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Route3
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In-stock
320-94-5 - ~%
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In-stock
396-02-1
References
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Suez, Gal; Bloch, Victoria; Nisnevich, Gennady; Gandelman, Mark European Journal of Organic Chemistry, 2012 , # 11 p. 2118 - 2122
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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 25.78
- LogP 3.9554
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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