Compound Q&A
How is Benzenebutanoic acid, α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]-, 1-ethyl ester, (αS)- (CAS: 116169-90-5) typically synthesized?
Answer
![Benzenebutanoic acid, α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]-, 1-ethyl ester, (αS)-](https://static.chemtradehub.com/structs/116/116169-90-5-9ee4.webp "Benzenebutanoic acid, α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]-, 1-ethyl ester, (αS)-")
This compound is synthesized through a multi-step process involving protection of the carboxylic acid, amidation, and esterification. Commonly, a trifluoroacetyl group is used as a protective group, followed by amidation using an amino-containing compound, and finally, esterification with an ethyl alcohol. The exact conditions and catalysts used can vary, but the overall yield is typically around 70-80%.
About
CAS No
116169-90-5
English Name
Benzenebutanoic acid, α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]-, 1-ethyl ester, (αS)-
Molecular Formula
C20H27F3N2O5
Molecular Weight
432.4 g/mol
SMILES
CCOC(=O)C(CCC1=CC=CC=C1)NC(CCCCNC(=O)C(F)(F)F)C(=O)O
InChIKey
YNLDFNVDZZGPHE-HOTGVXAUSA-N
Last Updated: 2025-10-13 17:50