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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

4-Quinolinecarboxylic acid, 2-(trifluoromethyl)-

OC(=O)c1cc(nc2c1cccc2)C(F)(F)F Request for Quotation
Chemical Name: 4-Quinolinecarboxylic acid, 2-(trifluoromethyl)-
CAS Number: 18706-39-3
Product Number: AG00APIZ(AGN-PC-0MTDYF)
Synonyms:
MDL No:
Molecular Formula: C11H6F3NO2
Molecular Weight: 241.1660

Identification/Properties

Computed Properties
Molecular Weight:
241.169g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
241.035g/mol
Monoisotopic Mass:
241.035g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
306
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-(Trifluoromethyl)quinoline-4-carboxylic acid is a versatile organic compound that finds wide applications in chemical synthesis as a key building block. With its unique structure and functional groups, this compound serves as a valuable intermediate in the preparation of various specialty chemicals, pharmaceuticals, and agrochemicals.In chemical synthesis, 2-(Trifluoromethyl)quinoline-4-carboxylic acid acts as a key precursor for the synthesis of complex molecules due to its ability to undergo various transformations. It can be used to introduce the trifluoromethyl group into organic molecules, which is often desirable for improving the physicochemical and biological properties of the final products. This compound can participate in different types of reactions such as nucleophilic substitution, palladium-catalyzed coupling reactions, and metal-catalyzed cross-coupling reactions.Moreover, 2-(Trifluoromethyl)quinoline-4-carboxylic acid plays a crucial role in medicinal chemistry by serving as a scaffold for the design and synthesis of bioactive molecules. By incorporating this compound into drug candidates, researchers can modulate the pharmacokinetic and pharmacodynamic profiles of the molecules, potentially enhancing their efficacy and reducing side effects.Overall, the versatile nature of 2-(Trifluoromethyl)quinoline-4-carboxylic acid makes it an indispensable tool for organic chemists and researchers working in the field of chemical synthesis, pharmaceuticals, and materials science.