Methyl 2-chloro-5-(trifluoromethyl)nicotinate

Name: Methyl 2-chloro-5-(trifluoromethyl)nicotinate
Brand: ChemScene
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CAS No. 1360934-51-5
Cat. No. CS-0132628
Molecule weight239.58
Purity≥98%
MDL No.MFCD22559950

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Methyl 2-chloro-5-(trifluoromethyl)nicotinate|CS-0132628

Structure of 1360934-51-5

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General Information

CAS No. 1360934-51-5
Cat. No. CS-0132628
Purity ≥98%
MDL No. MFCD22559950
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅ClF₃NO₂
Molecular Weight 239.58
Synonym(s) None
SMILES O=C(C1=CC(C(F)(F)F)=CN=C1Cl)OC

Description

Methyl 2-chloro-5-(trifluoromethyl)nicotinate features a trifluoromethyl group that enhances electron-withdrawing character and metabolic stability, while the chloro substituent provides a reactive handle for nucleophilic substitution. This bench-stable ester integrates readily into synthetic routes targeting bioactive heterocycles and functional materials.

Application

Methyl 2-chloro-5-(trifluoromethyl)nicotinate serves as a versatile building block in medicinal chemistry and agrochemical synthesis. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the chloro and ester functionalities enable diverse downstream transformations. It participates reliably in palladium-catalyzed cross-couplings, nucleophilic substitutions, and heterocycle elaboration, offering excellent bench stability and straightforward purification.

Synthesis

Route1
- In-stock
  
  505084-59-3
- 18107-18-1
- ~%
- In-stock
  
  1360934-51-5
References
- Borriello, Manuela; Rovati, Lucio; Stasi, Luigi Piero; Buzzi, Benedetta; Colace, Fabrizio Patent: US2013/261100 A1, 2013 ; Location in patent: Paragraph 0499-0500 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 39.19
LogP 2.5404
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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Methyl 2-chloro-5-(trifluoromethyl)nicotinate

CAS No. 1360934-51-5

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