CAS 188812-96-6: 3,5-Dichloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid

Description: 3,5-Dichloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid, with CAS number 188812-96-6, is a synthetic organic compound characterized by its complex structure, which includes a benzene ring substituted with two chlorine atoms at the 3 and 5 positions, and an amino acid moiety. This compound features a β-amino acid structure, which is significant in various biochemical applications. The presence of the 1,1-dimethylethoxycarbonyl group indicates that it has protective groups that can influence its reactivity and stability. The dichloro substitution enhances its potential for specific interactions in biological systems, making it of interest in pharmaceutical research. Its solubility and stability in various solvents can vary, depending on the pH and the presence of other functional groups. Overall, this compound's unique characteristics make it a valuable subject of study in medicinal chemistry and related fields, particularly for its potential applications in drug development and synthesis.

Formula: C₁₄H₁₇Cl₂NO₄

InChI: InChI=1S/C14H17Cl2NO4/c1-14(2,3)21-13(20)17-11(7-12(18)19)8-4-9(15)6-10(16)5-8/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)

InChI key: InChIKey=NMXNAYGOUOQUPC-UHFFFAOYSA-N

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

Synonyms:

• 3-[[(tert-Butoxy)carbonyl]amino]-3-(3,5-dichlorophenyl)propanoic acid
• Benzenepropanoic acid, 3,5-dichloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]-
• 3,5-Dichloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid

3-TERT-BUTOXYCARBONYLAMINO-3-(3,5-DICHLORO-PHENYL)-PROPIONIC ACID

CAS: 188812-96-6

• Formula: C₁₄H₁₇Cl₂NO₄
• Purity: 97%
• Molecular weight: 334.1951

3-((tert-Butoxycarbonyl)amino)-3-(3,5-dichlorophenyl)propanoic acid

CAS: 188812-96-6

• Purity: 95%
• Molecular weight: 334.19000244140625

Boc-DL-3-amino-3-(3,5-dichloro-phenyl)-propionic acid

CAS: 188812-96-6

Versatile small molecule scaffold

• Formula: C₁₄H₁₇Cl₂NO₄
• Purity: Min. 95%
• Molecular weight: 334.2 g/mol