Description

The (R)-(7-Octenyl)alanine tert-Butyl ester p-Nitrobenzoate (CAS No. 1375904-22-5) is a high-purity chiral compound with the molecular formula C₂₂H₃₄N₂O₆. This specialized amino acid derivative is designed for advanced research applications, particularly in asymmetric synthesis and pharmaceutical development. The compound features a tert-butyl ester group and a p-nitrobenzoate moiety, enhancing its utility as a versatile building block for peptide modification and drug discovery. Rigorous quality control ensures ≥95% purity (HPLC), making it ideal for sensitive analytical and synthetic workflows. Packaged under inert gas to guarantee stability, this product is tailored for researchers requiring precise stereochemical control in their experiments.

Properties

• CAS Number: 1375904-22-5
• Complexity: 433
• IUPAC Name: tert-butyl (2R)-2-(oct-7-enylamino)propanoate;4-nitrobenzoic acid
• InChI: InChI=1S/C15H29NO2.C7H5NO4/c1-6-7-8-9-10-11-12-16-13(2)14(17)18-15(3,4)5;9-7(10)5-1-3-6(4-2-5)8(11)12/h6,13,16H,1,7-12H2,2-5H3;1-4H,(H,9,10)/t13-;/m1./s1
• InChI Key: VQENZDOIOBDWHS-BTQNPOSSSA-N
• Exact Mass: 422.24168681
• Molecular Formula: C22H34N2O6
• Molecular Weight: 422.5
• SMILES: C[C@H](C(=O)OC(C)(C)C)NCCCCCCC=C.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
• Topological: 121
• Monoisotopic Mass: 422.24168681
• Synonyms: (R)-(7-Octenyl)alanine tert-Butyl ester p-Nitrobenzoate, 1375904-22-5, DB-247282

This compound serves as a key intermediate in the synthesis of chiral peptides and peptidomimetics, particularly in medicinal chemistry for probing enzyme-substrate interactions. Its tert-butyl ester group facilitates deprotection under mild acidic conditions, while the p-nitrobenzoate enhances UV detection sensitivity. Applications include asymmetric catalysis studies, PROTAC linker development, and as a scaffold for bioactive molecule design targeting GPCRs.

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