Lot numbers can be found on the outside label of a product:
2-Hydroxy-4-(trifluoromethyl)pyridine
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CAS No. 50650-59-4
- Cat. No. CS-W003573
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 50650-59-4
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General Information
- CAS No. 50650-59-4
- Cat. No. CS-W003573
- Purity ≥98%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₄F₃NO
- Molecular Weight 163.10
- Synonym(s) 4-(trifluoromethyl)pyridin-2(1H)-one
- SMILES Oc1nccc(c1)C(F)(F)F
Description
2-Hydroxy-4-(trifluoromethyl)pyridine features a strategically positioned trifluoromethyl group that enhances electron deficiency and metabolic stability, while the hydroxyl moiety enables direct participation in hydrogen bonding and metal coordination. This combination supports efficient integration into pharmaceutical intermediates and functional materials under standard conditions.
Application
2-Hydroxy-4-(trifluoromethyl)pyridine serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the pyridine ring due to its activated C2 position. The hydroxyl group facilitates derivatization via etherification or esterification, while the trifluoromethyl moiety imparts enhanced metabolic stability and lipophilicity. Its bench-stable nature and compatibility with standard coupling reactions make it a practical scaffold for synthesizing bioactive heterocycles and API intermediates.
Synthesis
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Route1
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59938-06-6 -
107-14-2
- ~%
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In-stock
50650-59-4
References
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Xiong, Wen-Nan; Yang, Cai-Guang; Jiang, Biao Bioorganic and Medicinal Chemistry, 2001 , vol. 9, # 7 p. 1773 - 1780
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Route2
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In-stock
106447-97-6 - ~71%
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In-stock
50650-59-4
References
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Dunn Journal of Fluorine Chemistry, 1999 , vol. 93, # 2 p. 153 - 157
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Route3
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75-77-4
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59938-06-6
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107-14-2
- ~71%
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In-stock
50650-59-4
References
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Jiang, Biao; Xiong, Wennan; Zhang, Xiaobing; Zhang, Fangjiang Organic Process Research and Development, 2001 , vol. 5, # 5 p. 531 - 534
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS07
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Signal Word : Danger
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UN#: 1759
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H302-H318
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Precautionary Statements : P264-P270-P280-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 33.12
- LogP 1.806
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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