Lot numbers can be found on the outside label of a product:
Methyl 3-fluoro-4-formylbenzoate
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CAS No. 74733-25-8
- Cat. No. CS-W018604
- Purity≥95%
- MDL No.MFCD16036860
*For research and further manufacturing use only, not for direct human use.
Structure of 74733-25-8
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General Information
- CAS No. 74733-25-8
- Cat. No. CS-W018604
- Purity ≥95%
- MDL No. MFCD16036860
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇FO₃
- Molecular Weight 182.15
- Synonym(s) Benzoic acid, 3-fluoro-4-formyl-, methyl ester
- SMILES COC(=O)C1=CC(F)=C(C=O)C=C1
Description
Methyl 3-fluoro-4-formylbenzoate features a fluorinated aromatic ring with complementary formyl and ester functionalities, enabling direct integration into Suzuki-Miyaura couplings and multicomponent condensations. The electron-deficient formyl group facilitates nucleophilic addition, while the methyl ester offers stability under standard conditions. This compound serves as a key building block in the synthesis of bioactive heterocycles and functionalized pharmaceutical intermediates.
Application
Methyl 3-fluoro-4-formylbenzoate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to fluorinated aromatic scaffolds. The formyl group facilitates nucleophilic additions, condensations, and cyclizations, while the methyl ester provides a handle for selective transformations. Its ortho-fluoro substituent enhances metabolic stability and modulates electronic properties, offering predictable reactivity in standard coupling and functionalization protocols. Bench-stable and readily purified by chromatography, it functions effectively in multi-step syntheses of bioactive molecules.
Synthesis
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Route1
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In-stock
193290-80-1 -
74-88-4 - ~82%
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In-stock
74733-25-8
References
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SCHERING CORPORATION Patent: WO2008/130584 A1, 2008 ; Location in patent: Page/Page column 144-145 ; WO 2008/130584 A1
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References
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Cheung, Adrian Wai-Hing; Guertin, Kevin Richard; Haynes, Nancy-Ellen; Mertz, Eric; Qi, Lida; Qian, Yimin; Scott, Nathan Robert Patent: US2012/258982 A1, 2012 ; Location in patent: Page/Page column 53 ; US 20120258982 A1
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Route3
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In-stock
849758-12-9 -
141-53-7 - ~8%
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In-stock
74733-25-8
References
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Zimmerman, Sommer S.; Khatri, Alpa; Garnier-Amblard, Ethel C.; Mullasseril, Praseeda; Kurtkaya, Natalie L.; Gyoneva, Stefka; Hansen, Kasper B.; Traynelis, Stephen F.; Liotta, Dennis C. Journal of Medicinal Chemistry, 2014 , vol. 57, # 6 p. 2334 - 2356
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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 43.37
- LogP 1.4248
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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