Lot numbers can be found on the outside label of a product:
Methyl 3-amino-2-fluorobenzoate
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CAS No. 1195768-18-3
- Cat. No. CS-0038763
- Purity≥97%
- MDL No.MFCD12923265
*For research and further manufacturing use only, not for direct human use.
Structure of 1195768-18-3
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General Information
- CAS No. 1195768-18-3
- Cat. No. CS-0038763
- Purity ≥97%
- MDL No. MFCD12923265
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₈FNO₂
- Molecular Weight 169.15
- Synonym(s) 3-Amino-2-fluorobenzoic Acid Methyl Ester
- SMILES COC(=O)C1=C(C(=CC=C1)N)F
Description
4,4'-Dimethyl-2,2'-bipyridine is used as a chemical Intermediate. It can be used for the determination of ferrous and cyanide compounds.
Application
Methyl 3-amino-2-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 ortho-fluoro and meta-amino groups offer complementary reactivity for directed metalation and electrophilic substitution, while the ester functionality supports diverse transformations. Bench-stable and readily purified, it facilitates scalable synthesis of API intermediates.
Synthesis
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Route1
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In-stock
946126-94-9 - ~91%
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In-stock
1195768-18-3
References
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NOVARTIS AG; MADERA, Ann Marie; POON, Daniel; SMITH, Aaron Patent: WO2011/161216 A1, 2011 ; Location in patent: Page/Page column 30 ; WO 2011/161216 A1
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Route2
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In-stock
206551-41-9 - ~76%
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In-stock
1195768-18-3
References
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GLAXOSMITHKLINE LLC; ADAMS, Jerry, Leroy; FAITG, Thomas; KASPAREC, Jiri; PENG, Xin; RALPH, Jeffrey; RHEAULT, Tara Renae; WATERSON, Alex Gregory Patent: WO2011/59610 A1, 2011 ; Location in patent: Page/Page column 86-87 ; WO 2011/059610 A1
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Route3
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67-56-1 -
In-stock
914223-43-1 - ~99%
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In-stock
1195768-18-3
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 85 ;
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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-H320-H335
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Precautionary Statements : P264-P270-P330
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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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