Lot numbers can be found on the outside label of a product:
2-Fluoro-4-methylphenol
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CAS No. 452-81-3
- Cat. No. CS-W003002
- Purity≥97%
- MDL No.MFCD03094332
*For research and further manufacturing use only, not for direct human use.
Structure of 452-81-3
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General Information
- CAS No. 452-81-3
- Cat. No. CS-W003002
- Purity ≥97%
- MDL No. MFCD03094332
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₇FO
- Molecular Weight 126.13
- Synonym(s) 3-Fluoro-4-hydroxytoluene, 2-Fluoro-p-cresol
- SMILES Cc1ccc(c(c1)F)O
Description
2-Fluoro-4-methylphenol features a fluorine atom at the ortho position and a methyl group at the para position relative to the hydroxyl group, creating a uniquely activated aromatic system. This substitution pattern enhances electrophilic reactivity while maintaining bench stability, enabling direct incorporation into pharmaceutical intermediates and agrochemical scaffolds via C–H functionalization or coupling reactions.
Application
2-Fluoro-4-methylphenol serves as a valuable building block in medicinal chemistry, enabling the construction of fluorinated aromatic scaffolds prevalent in pharmaceuticals. Its ortho-fluoro substitution facilitates electrophilic aromatic substitution and Suzuki-Miyaura coupling reactions, while the phenolic hydroxyl group offers direct derivatization potential. The methyl group provides steric and electronic modulation, enhancing metabolic stability. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step syntheses requiring functional group compatibility and predictable reactivity.
Synthesis
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Route1
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106-44-5 - ~45%
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In-stock
452-81-3
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77249-33-3
References
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Misaki, Susumu Journal of Fluorine Chemistry, 1981 , vol. 17, p. 159 - 172
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Route2
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106-44-5
- ~32%
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In-stock
452-81-3
References
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Pravst, Igor; Iskra, Maja Papez; Jereb, Marjan; Zupan, Marko; Stavber, Stojan Tetrahedron, 2006 , vol. 62, # 18 p. 4474 - 4481
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Route3
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In-stock
452-80-2 - ~%
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In-stock
452-81-3
References
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Finger et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 94,95, 97
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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 20.23
- LogP 1.83972
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
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