CAS 1227311-10-5: 4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine methyl ester

Description: 4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine methyl ester is a synthetic organic compound characterized by its complex structure, which includes a cyano group, an ester functional group, and a chiral amino acid backbone. This compound features a phenylalanine derivative with additional methyl groups at the 2 and 6 positions of the aromatic ring, enhancing its lipophilicity and potentially influencing its biological activity. The presence of the 1,1-dimethylethoxycarbonyl group suggests that it may be used in various synthetic applications, particularly in peptide synthesis or as an intermediate in pharmaceutical development. The cyano group can serve as a versatile functional handle for further chemical modifications. As a methyl ester, it is likely to exhibit increased solubility in organic solvents, making it suitable for various chemical reactions. Overall, this compound's unique structural features may contribute to its utility in medicinal chemistry and materials science, although specific applications would depend on further research and characterization.

Formula: C₁₈H₂₄N₂O₄

InChI: InChI=1S/C18H24N2O4/c1-11-7-13(10-19)8-12(2)14(11)9-15(16(21)23-6)20-17(22)24-18(3,4)5/h7-8,15H,9H2,1-6H3,(H,20,22)/t15-/m0/s1

InChI key: InChIKey=HYORTKXZQBJJBT-HNNXBMFYSA-N

SMILES: N#CC=1C=C(C(=C(C1)C)CC(NC(=O)OC(C)(C)C)C(=O)OC)C

Synonyms:

• 4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine methyl ester
• (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-cyano-2,6-dimethylphenyl)propanoate
• L-Phenylalanine, 4-cyano-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-, methyl ester

(S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-cyano-2,6-dimethylphenyl)propanoate

CAS: 1227311-10-5

• Formula: C₁₈H₂₄N₂O₄
• Purity: 95%
• Molecular weight: 332.3942

(S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-cyano-2,6-dimethylphenyl)propanoate

CAS: 1227311-10-5

• Purity: 0.95
• Molecular weight: 332.39g/mol

(S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-cyano-2,6-dimethylphenyl)propanoate

CAS: 1227311-10-5

• Purity: 95%
• Molecular weight: 332.3999938964844

Eluxadoline Impurity 6

CAS: 1227311-10-5

• Formula: C₁₈H₂₄N₂O₄
• Molecular weight: 332.40

(S)-methyl 2-((tert-butoxycarbonyl)-amino)-3-(4-cyano-2,6dimethylphenyl) propanoate

CAS: 1227311-10-5

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• Formula: C₁₈H₂₄N₂O₄
• Purity: Min. 95%
• Molecular weight: 332.39 g/mol