Lot numbers can be found on the outside label of a product:
Methyl 2-Amino-4,5-difluorobenzoate
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CAS No. 207346-42-7
- Cat. No. CS-W003614
- Purity≥98%
- MDL No.MFCD09264511
*For research and further manufacturing use only, not for direct human use.
Structure of 207346-42-7
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General Information
- CAS No. 207346-42-7
- Cat. No. CS-W003614
- Purity ≥98%
- MDL No. MFCD09264511
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇F₂NO₂
- Molecular Weight 187.14
- Synonym(s) Methyl-2-amino-4,5-difluoro Benzoate
- SMILES O=C(OC)C1=CC(F)=C(F)C=C1N
Description
Methyl 2-Amino-4,5-difluorobenzoate features a strategically positioned amino group flanked by two fluorine substituents, delivering enhanced electron density and metabolic stability. This combination enables direct incorporation into bioactive scaffolds, particularly in kinase inhibitor design and pharmaceutical lead optimization. The ester functionality supports further derivatization under standard coupling conditions.
Synthesis
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Route1
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In-stock
1015433-96-1 - ~96%
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In-stock
207346-42-7
References
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PORTOLA PHARMACEUTICALS, INC. Patent: WO2008/36843 A2, 2008 ; Location in patent: Page/Page column 33 ; WO 2008/036843 A2
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Route2
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In-stock
83506-93-8 -
18107-18-1 - ~10%
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In-stock
207346-42-7
References
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Wadell, Göran; Edlund, Karin; Strand, Marten; Andersson, Emma; Öberg, Christopher; Elofsson, Mikael; Mei, Ya-Fang Patent: US2013/210915 A1, 2013 ; Location in patent: Paragraph 0302 ;
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Route3
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32315-10-9
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In-stock
83506-93-8
- ~%
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In-stock
207346-42-7
References
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US6413724 B1, ;
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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 1.3336
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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