Lot numbers can be found on the outside label of a product:
6-(Trifluoromethyl)pyrimidin-4-amine
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CAS No. 672-41-3
- Cat. No. CS-W018728
- Purity≥98%
- MDL No.MFCD08436657
*For research and further manufacturing use only, not for direct human use.
Structure of 672-41-3
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General Information
- CAS No. 672-41-3
- Cat. No. CS-W018728
- Purity ≥98%
- MDL No. MFCD08436657
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₄F₃N₃
- Molecular Weight 163.10
- Synonym(s) 6-Trifluoromethylpyrimidin-4-ylamine
- SMILES FC(C1=CC(=NC=N1)N)(F)F
Description
6-(Trifluoromethyl)pyrimidin-4-amine features a trifluoromethyl group at the 6-position and an amino moiety at the 4-position on a pyrimidine core. This electron-deficient heterocycle integrates readily into medicinal chemistry scaffolds, offering enhanced metabolic stability and membrane permeability in bioactive compounds.
Application
6-(Trifluoromethyl)pyrimidin-4-amine serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling reactions. Its trifluoromethyl group enhances metabolic stability and membrane permeability, while the pyrimidine amine functions as a reliable handle for Suzuki-Miyaura, Buchwald-Hartwig, and reductive amination transformations. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for high-throughput synthesis and API development workflows.
Synthesis
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Route1
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In-stock
37552-81-1 - ~99%
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In-stock
672-41-3
References
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ASTRAZENECA AB Patent: US2009/170849 A1, 2009 ; Location in patent: Page/Page column 14 ; US 20090170849 A1
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Route2
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In-stock
1546-78-7 -
7664-41-7 - ~61%
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In-stock
672-41-3
References
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CROWN BIOSCIENCE INC. (TAICANG); ZHANG, Deyi; ZHANG, Ruihao; ZHONG, Boyu; SHIH, Chuan Patent: WO2014/418 A1, 2014 ; Location in patent: Page/Page column 84 ;
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Route3
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In-stock
1546-78-7
- ~13%
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In-stock
672-41-3
References
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BAYER PHARMACEUTICALS CORPORATION Patent: WO2007/75650 A2, 2007 ; Location in patent: Page/Page column 43 ;
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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 51.8
- LogP 1.0776
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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