Lot numbers can be found on the outside label of a product:
Methyl 3-amino-5-fluorobenzoate
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CAS No. 884497-46-5
- Cat. No. CS-W005376
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 884497-46-5
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General Information
- CAS No. 884497-46-5
- Cat. No. CS-W005376
- Purity ≥98%
- MDL No. None
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₈FNO₂
- Molecular Weight 169.15
- Synonym(s) Methyl3-amino-5-fluorobenzoate
- SMILES O=C(OC)C1=CC(F)=CC(N)=C1
Description
Methyl 3-amino-5-fluorobenzoate features a strategically positioned amino group flanked by fluorine and ester functionalities, enabling selective coupling in medicinal chemistry. This bench-stable derivative integrates readily into diverse synthetic scaffolds, offering enhanced solubility and reactivity under standard conditions.
Application
Methyl 3-amino-5-fluorobenzoate serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds via standard coupling and cyclization protocols. Its amino and fluorine functionalities offer orthogonal reactivity for sequential functionalization, while the ester group facilitates purification and downstream transformations. Bench-stable and compatible with common reaction conditions, it supports scalable synthesis of bioactive molecules.
Synthesis
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Route1
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In-stock
1342063-52-8 - ~89%
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In-stock
884497-46-5
References
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BEIGENE, LTD.; ZHOU, Changyou; REN, Bo; WANG, Hexiang Patent: WO2013/97226 A1, 2013 ; Location in patent: Page/Page column 46; 47 ;
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Route2
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In-stock
883987-72-2 - ~%
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In-stock
884497-46-5
References
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US2013/190249 A1, ; Page/Page column ;
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Route3
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In-stock
14027-75-9 - ~%
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In-stock
884497-46-5
References
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US2013/190249 A1, ;
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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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