L-Isoleucine 7-amido-4-methylcoumarin trifluroacetate
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L-Isoleucine 7-amido-4-methylcoumarin trifluroacetate

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Category
L-Amino Acids
Catalog number
BAT-004221
CAS number
191723-53-2
Molecular Formula
C16H20N2O3·C2HO2F3
Molecular Weight
402.37
L-Isoleucine 7-amido-4-methylcoumarin trifluroacetate
IUPAC Name
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide;2,2,2-trifluoroacetic acid
Synonyms
L-Ile-AMC TFA; (2S,3S)-2-amino-3-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide,2,2,2-trifluoroacetic acid; L-Isoleucine-7-amido-4-methylcoumarin trifluoroacetate salt
Purity
95%
Storage
Store at 2-8 °C
InChI
InChI=1S/C16H20N2O3.C2HF3O2/c1-4-9(2)15(17)16(20)18-11-5-6-12-10(3)7-14(19)21-13(12)8-11;3-2(4,5)1(6)7/h5-9,15H,4,17H2,1-3H3,(H,18,20);(H,6,7)/t9-,15-;/m0./s1
InChI Key
XPPJTDCCTDQORL-UXZWUECBSA-N
Canonical SMILES
CCC(C)C(C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)N.C(=O)(C(F)(F)F)O
1.Anion-Exchange Properties of Trifluoroacetate and Triflate Salts of N-Alkylammonium Resorcinarenes.
Pan F1, Beyeh NK2,3, Bertella S1,4, Rissanen K5. Chem Asian J. 2016 Mar 4;11(5):782-8. doi: 10.1002/asia.201501335. Epub 2016 Jan 28.
The synthesis of N-benzyl- and N-cyclohexylammonium resorcinarene trifluoroacetate (TFA) and triflate (OTf) salt receptors was investigated. Solid-state analysis by single-crystal X-ray diffraction revealed that the N-alkylammonium resorcinarene salts (NARSs) with different upper substituents had different cavity sizes and different affinities for anions. Anion-exchange experiments by mixing equimolar amounts of N-benzylammonium resorcinarene trifluoroacetate and N-cyclohexylammonium resorcinarene triflate, as well as N-benzylammonium resorcinarene triflate and N-cyclohexylammonium resorcinarene trifluoroacetate showed that the NARS with flexible benzyl groups preferred the larger OTf anion, whereas the rigid cyclohexyl groups preferred the smaller TFA anions. The anion-exchange processes were confirmed in the solid state by single-crystal and powder X-ray diffraction experiments and in the gas phase by electrospray ionization mass spectrometry.
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