Lot numbers can be found on the outside label of a product:
Methyl 3-amino-4-fluorobenzoate
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CAS No. 369-26-6
- Cat. No. CS-W019434
- Purity≥97%
- MDL No.MFCD08689743
*For research and further manufacturing use only, not for direct human use.
Structure of 369-26-6
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General Information
- CAS No. 369-26-6
- Cat. No. CS-W019434
- Purity ≥97%
- MDL No. MFCD08689743
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₈FNO₂
- Molecular Weight 169.15
- Synonym(s) Benzoic acid, 3-amino-4-fluoro-, methyl ester
- SMILES NC1=C(C=CC(=C1)C(=O)OC)F
Description
Methyl 3-amino-4-fluorobenzoate features a strategically positioned amino group flanked by fluorine and ester functionalities, enabling selective coupling in medicinal chemistry. This electron-rich scaffold supports efficient derivatization under mild conditions, delivering key intermediates for bioactive compound synthesis.
Application
Methyl 3-amino-4-fluorobenzoate serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocycles and drug candidates. Its ortho-fluoro and amino functionalities facilitate directed metalation and electrophilic substitution, while the ester group supports selective transformations. The compound exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for multi-step synthesis workflows in API development.
Synthesis
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Route1
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In-stock
329-59-9 - ~97%
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In-stock
369-26-6
References
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SMITHKLINE BEECHAM CORPORATION Patent: WO2009/76140 A1, 2009 ; Location in patent: Page/Page column 186 ; WO 2009/076140 A1
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Route2
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67-56-1 -
In-stock
2365-85-7 - ~99%
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In-stock
369-26-6
References
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Chen, Li; Feng, Lichun; Huang, Mengwei; Liu, Yongfu; Wu, Guolong; Wu, Jim Zhen; Zhou, Mingwei Patent: US2011/257151 A1, 2011 ; Location in patent: Page/Page column 92 ;
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Route3
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In-stock
456-22-4 - ~%
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In-stock
369-26-6
References
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Soundararajan, N.; Platz, Matthew S. Journal of Organic Chemistry, 1990 , vol. 55, # 7 p. 2034 - 2044
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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 52.32
- LogP 1.1945
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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