116401-44-6 Usage
Description
4-OXO-4-[3-(TRIFLUOROMETHYL)ANILINO]BUT-2-ENOIC ACID is a chemical compound with the molecular formula C13H10F3NO3, derived from the amino acid phenylalanine and featuring a trifluoromethyl group. This yellow crystalline powder is recognized for its unique structure and properties, making it a valuable raw material in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. Its potential applications in medicinal chemistry and drug development are currently being explored, along with its biological activities and therapeutic potential.
Uses
Used in Pharmaceutical Industry:
4-OXO-4-[3-(TRIFLUOROMETHYL)ANILINO]BUT-2-ENOIC ACID is used as a raw material for the synthesis of various pharmaceuticals due to its unique chemical structure, which can be leveraged to develop new drugs with specific therapeutic effects.
Used in Agrochemical Industry:
In the agrochemical sector, 4-OXO-4-[3-(TRIFLUOROMETHYL)ANILINO]BUT-2-ENOIC ACID is utilized as a starting compound for the creation of novel agrochemicals, potentially enhancing crop protection and yield through its incorporation into new formulations.
Used in Medicinal Chemistry Research:
4-OXO-4-[3-(TRIFLUOROMETHYL)ANILINO]BUT-2-ENOIC ACID is employed as a research compound in medicinal chemistry, where its properties are studied to understand its interactions with biological targets, potentially leading to the discovery of new therapeutic agents.
Used in Drug Development:
As a compound with potential biological activities, 4-OXO-4-[3-(TRIFLUOROMETHYL)ANILINO]BUT-2-ENOIC ACID is used in drug development for its possible role as a therapeutic agent, with ongoing research aimed at uncovering its full potential in treating various conditions.
Check Digit Verification of cas no
The CAS Registry Mumber 116401-44-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,6,4,0 and 1 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 116401-44:
(8*1)+(7*1)+(6*6)+(5*4)+(4*0)+(3*1)+(2*4)+(1*4)=86
86 % 10 = 6
So 116401-44-6 is a valid CAS Registry Number.
InChI:InChI=1/C11H8F3NO3/c12-11(13,14)7-2-1-3-8(6-7)15-9(16)4-5-10(17)18/h1-6H,(H,15,16)(H,17,18)
116401-44-6Relevant articles and documents
Complexes of selected transition metal ions with 4-oxo-4-{[3-(trifluoromethyl)phenyl]amino}but-2-enoic acid: Synthesis, structure and magnetic properties
Ferenc, Wies?awa,Sadowski, Pawe?,Tarasiuk, Bogdan,Cristóv?o, Beata,Drzewiecka-Antonik, Aleksandra,Osypiuk, Dariusz,Sarzyński, Jan
, p. 202 - 210 (2015)
Abstract The new complexes of 4-oxo-4-{[3-(trifluoromethyl)phenyl]amino}but-2-enoic acid, HL anion with Mn(II), Co(II), Ni(II), Cu(II) and Pr(III), Nd(III), Sm(III), Gd(III), Dy(III), Ho(III), Er(III), Y(III) were synthesized and some of their physico-chemical properties investigated. The complexes form hydrates with two or three molecules of water. The carboxylate groups act as a bidentate bridging or chelating ligand. The compounds of Pr(III), Nd(III), Sm(III), Gd(III), Dy(III), Ho(III), Er(III) and Y(III) are amorphous solids while those of Cu(II), Co(II), Ni(II) and Mn(II) crystalline ones that crystallize in monoclinic system. Complex of Cu(II) is the centrosymmetric dinuclear compound. Around both Cu(II) cations the tetragonal pyramide is formed. Being heated in air at 293-1173 K the complexes are decomposed in three steps. The oxides of appropriate metals are the final products of complex decomposition. All analysed compounds obey Curie-Weiss law. They show the paramagnetic properties with the ferromagnetic interactions between molecular centres.
