Lot numbers can be found on the outside label of a product:
Methyl 2-chloro-5-fluoronicotinate
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CAS No. 847729-27-5
- Cat. No. CS-0042709
- Purity≥95%
- MDL No.MFCD09763661
*For research and further manufacturing use only, not for direct human use.
Structure of 847729-27-5
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General Information
- CAS No. 847729-27-5
- Cat. No. CS-0042709
- Purity ≥95%
- MDL No. MFCD09763661
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₅ClFNO₂
- Molecular Weight 189.57
- Synonym(s) METHYL2-CHLORO-5-FLUORONICOTINATE
- SMILES O=C(OC)C1=C(Cl)N=CC(F)=C1
Description
Methyl 2-chloro-5-fluoronicotinate features a strategically positioned chloro and fluoro substituent on the pyridine ring, enhancing electrophilicity at the carbonyl carbon. This electron-deficient ester integrates readily into cross-coupling reactions and serves as a key building block in medicinal chemistry workflows requiring halogenated heterocycles.
Application
Methyl 2-chloro-5-fluoronicotinate serves as a versatile building block in medicinal chemistry, enabling efficient construction of fluorinated heterocycles and bioactive scaffolds. Its orthogonal reactivity profile—combining electrophilic chlorine and electron-withdrawing fluorine—facilitates palladium-catalyzed cross-coupling and nucleophilic substitution reactions. The methyl ester group supports further functionalization via hydrolysis or reduction. Bench-stable and readily purified by flash chromatography, it is well-suited for scalable synthesis of pharmaceutical intermediates.
Synthesis
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Route1
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In-stock
38186-88-8 -
74-88-4 - ~%
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In-stock
847729-27-5
References
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WO2008/76425 A1, ; Page/Page column 82 ; WO 2008/076425 A1
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Route2
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In-stock
38186-88-8
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18107-18-1
- ~69%
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In-stock
847729-27-5
References
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PFIZER INC.; PFIZER JAPAN, INC. Patent: WO2005/21508 A1, 2005 ; Location in patent: Page/Page column 97 ; WO 2005/021508 A1
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Route3
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67-56-1
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In-stock
38186-88-8
- ~24%
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In-stock
847729-27-5
References
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PFIZER PRODUCTS INC. Patent: WO2005/102389 A2, 2005 ; Location in patent: Page/Page column 200 ; WO 2005/102389 A2
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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 39.19
- LogP 1.6607
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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