Lot numbers can be found on the outside label of a product:
2-Amino-4-(trifluoromethyl)pyrimidine
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CAS No. 16075-42-6
- Cat. No. CS-D0800
- Purity≥98%
- MDL No.MFCD00828624
*For research and further manufacturing use only, not for direct human use.
Structure of 16075-42-6
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General Information
- CAS No. 16075-42-6
- Cat. No. CS-D0800
- Purity ≥98%
- MDL No. MFCD00828624
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₄F₃N₃
- Molecular Weight 163.10
- Synonym(s) 4-Trifluoromethyl-2-aminopyrimidine
- SMILES FC(C1=NC(N)=NC=C1)(F)F
Description
2-Amino-4-(trifluoromethyl)pyrimidine features a trifluoromethyl group that imparts enhanced electron-withdrawing character and metabolic stability, while the amino substituent enables direct functionalization in heterocyclic synthesis. This combination facilitates efficient incorporation into kinase inhibitors and bioactive scaffolds under standard conditions.
Application
2-Amino-4-(trifluoromethyl)pyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrimidine-based scaffolds through nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the amino functionality provides a handle for derivatization. The compound exhibits good bench stability and is compatible with standard purification methods, facilitating its use in multi-step syntheses of bioactive molecules.
Synthesis
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References
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WO2008/98058 A1, ; Page/Page column 63-64 ; WO 2008/098058 A1
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Route2
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59938-06-6 -
113-00-8
- ~%
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In-stock
16075-42-6
References
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SPHAERA PHARMA PVT. LTD.; DUGAR, Sundeep; MAHAJAN, Dinesh; HOLLINGER PETER, Frank; SHARMA, Amit; TRIPATHI, Vinayak; KUILA, Bilash Patent: WO2014/16849 A2, 2014 ; Location in patent: Page/Page column 117 ;
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Route3
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59938-06-6
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In-stock
50-01-1 - ~65%
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In-stock
16075-42-6
References
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Goodacre, Simon C.; Street, Leslie J.; Hallett, David J.; Crawforth, James M.; Kelly, Sarah; Owens, Andrew P.; Blackaby, Wesley P.; Lewis, Richard T.; Stanley, Joanna; Smith, Alison J.; Ferris, Pushpinder; Sohal, Bindi; Cook, Susan M.; Pike, Andrew; Brown, Nicola; Wafford, Keith A.; Marshall, George; Castro, Jose L.; Atack, John R. Journal of Medicinal Chemistry, 2006 , vol. 49, # 1 p. 35 - 38
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS06,GHS08,GHS09
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Signal Word : Danger
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UN#: 2811
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Class : 6.1
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Packing Group : Ⅲ
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Hazard Statements : H300-H319-H334-H410
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Precautionary Statements : P261-P264-P270-P273-P280-P285-P330-P391-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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