Lot numbers can be found on the outside label of a product:
Methyl 4-fluoro-3-methoxybenzoate
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CAS No. 74385-37-8
- Cat. No. CS-B1029
- Purity≥98%
- MDL No.MFCD06203732
*For research and further manufacturing use only, not for direct human use.
Structure of 74385-37-8
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General Information
- CAS No. 74385-37-8
- Cat. No. CS-B1029
- Purity ≥98%
- MDL No. MFCD06203732
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₉FO₃
- Molecular Weight 184.16
- Synonym(s) 4-fluoro-3-methoxybenzoic acid methyl ester
- SMILES O=C(OC)C1=CC=C(F)C(OC)=C1
Description
Methyl 4-fluoro-3-methoxybenzoate features a strategically positioned fluorine atom and methoxy group on the aromatic ring, enhancing electron-withdrawing character and modulating reactivity. This configuration supports selective functionalization in synthetic routes to bioactive compounds. The ester moiety enables straightforward derivatization under standard conditions.
Application
Methyl 4-fluoro-3-methoxybenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted aromatic scaffolds. The ortho-distributed fluorine and methoxy groups provide enhanced electronic modulation and metabolic stability. It functions reliably in palladium-catalyzed cross-coupling reactions and undergoes controlled nucleophilic substitution, offering predictable reactivity with good bench stability and straightforward purification.
Synthesis
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Route1
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In-stock
51446-31-2 -
74-88-4 - ~94%
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In-stock
74385-37-8
References
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Chen, Yi; Dermatakis, Apostolos; Liu, Jin-Jun; Luk, Kin-Chun; Michoud, Christophe; Rossman, Pamela Loreen Patent: US2004/204427 A1, 2004 ; Location in patent: Page/Page column 42 ; US 20040204427 A1
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Route2
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67-56-1
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In-stock
82846-18-2 - ~97%
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In-stock
74385-37-8
References
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Harris, Craig S.; Kettle, Jason G.; Williams, Emma J. Tetrahedron Letters, 2005 , vol. 46, # 43 p. 7381 - 7384
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Route3
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In-stock
41608-64-4 - ~%
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In-stock
74385-37-8
References
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Journal of Medicinal Chemistry, , vol. 23, # 8 p. 841 - 848
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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-P280-P302+P352
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Quality Control
Computational Chemistry Data
- TPSA 35.53
- LogP 1.6209
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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