Lot numbers can be found on the outside label of a product:
2-Fluoro-4-methoxybenzaldehyde
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CAS No. 331-64-6
- Cat. No. CS-W001211
- Purity≥98%
- MDL No.MFCD00236679
*For research and further manufacturing use only, not for direct human use.
Structure of 331-64-6
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General Information
- CAS No. 331-64-6
- Cat. No. CS-W001211
- Purity ≥98%
- MDL No. MFCD00236679
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇FO₂
- Molecular Weight 154.14
- Synonym(s) 2-Fluoro-4-(methoxy)benzaldehyde
- SMILES COC1=CC(F)=C(C=O)C=C1
Description
2-Fluoro-4-methoxybenzaldehyde features a fluorine atom at the ortho position and a methoxy group at the para position relative to the aldehyde, creating a uniquely electron-deficient aromatic ring. This combination enhances reactivity in electrophilic substitution and enables efficient coupling in pharmaceutical synthesis. The aldehyde functionality allows direct incorporation into complex scaffolds via condensation or reduction reactions. Bench-stable and moisture-tolerant, it streamlines access to functionalized intermediates for drug discovery and materials development.
Application
2-Fluoro-4-methoxybenzaldehyde serves as a valuable building block in medicinal chemistry and agrochemical synthesis, offering a versatile ortho-fluorinated aryl aldehyde with enhanced metabolic stability. Its methoxy group provides a handle for further functionalization, while the aldehyde functionality enables efficient imine formation, reductive amination, and coupling reactions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in multi-step synthetic sequences and library generation.
Synthesis
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Route1
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26412-87-3 -
405-09-4 - ~90%
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In-stock
331-64-6
References
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Sumitomo Pharmaceuticals Co., Ltd. Patent: US6194461 B1, 2001 ;
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Route2
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68-12-2
- ~%
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In-stock
331-64-6
References
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EP1813611 A1, ; Page/Page column 23 ;
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Route3
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In-stock
348-27-6 -
74-88-4
- ~85%
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In-stock
331-64-6
References
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Monclus, Michel; Masson, Carine; Luxen, Andre Journal of Fluorine Chemistry, 1995 , vol. 70, # 1 p. 39 - 44
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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 26.3
- LogP 1.6468
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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