Lot numbers can be found on the outside label of a product:
methyl 4-fluoro-3-hydroxybenzoate
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CAS No. 214822-96-5
- Cat. No. CS-0188238
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 214822-96-5
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General Information
- CAS No. 214822-96-5
- Cat. No. CS-0188238
- Purity ≥98%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇FO₃
- Molecular Weight 170.14
- Synonym(s) 4-Fluoro-3-hydroxybenzoic Acid Methyl Ester
- SMILES COC(=O)C1=CC(=C(C=C1)F)O
Description
Methyl 4-fluoro-3-hydroxybenzoate features a strategically positioned fluorine atom and a phenolic hydroxyl group, enabling selective functionalization in synthetic routes. This electron-deficient aromatic system integrates readily into complex scaffolds under standard conditions, offering enhanced reactivity for medicinal chemistry applications.
Application
Methyl 4-fluoro-3-hydroxybenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzene scaffolds. The ortho-hydroxyl and meta-fluoro groups offer orthogonal reactivity for selective functionalization, while the methyl ester facilitates downstream transformations such as hydrolysis or nucleophilic substitution. Its bench-stable nature and compatibility with common coupling reactions make it a practical choice for iterative synthesis workflows.
Synthesis
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Route1
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In-stock
51446-31-2 -
149-73-5 - ~96%
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In-stock
214822-96-5
References
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WYETH Patent: WO2005/12291 A1, 2005 ; Location in patent: Page/Page column 63-64 ; WO 2005/012291 A1
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Route2
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67-56-1
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In-stock
51446-31-2
- ~75%
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In-stock
214822-96-5
References
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MEDIVIR AB Patent: WO2009/53277 A1, 2009 ; Location in patent: Page/Page column 74-75 ; WO 2009/053277 A1
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Route3
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In-stock
51446-31-2
- ~99%
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In-stock
214822-96-5
References
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Astra Aktiebolag Patent: US6197978 B1, 2001 ;
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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 46.53
- LogP 1.3179
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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