CAS 158478-77-4: 3-[N,N′-Bis(tert-butoxycarbonyl)guanidino]propionic acid

Description: 3-[N,N′-Bis(tert-butoxycarbonyl)guanidino]propionic acid is a chemical compound characterized by its guanidine functional group, which is modified with tert-butoxycarbonyl (Boc) protecting groups. This compound typically appears as a white to off-white solid and is soluble in polar organic solvents. The presence of the guanidino group imparts basic properties, while the carboxylic acid functionality contributes to its acidity. The tert-butoxycarbonyl groups serve as protective groups for the amine functionalities, making the compound useful in peptide synthesis and other organic reactions where selective deprotection is required. Its structure allows for potential applications in medicinal chemistry, particularly in the design of bioactive molecules. The compound's stability and reactivity can be influenced by the pH of the environment, and it may undergo hydrolysis under certain conditions, releasing the guanidine and carboxylic acid components. Overall, this compound is significant in synthetic organic chemistry and biochemistry due to its functional versatility.

Formula: C₁₄H₂₅N₃O₆

InChI: InChI=1S/C14H25N3O6/c1-13(2,3)22-11(20)16-10(15-8-7-9(18)19)17-12(21)23-14(4,5)6/h7-8H2,1-6H3,(H,18,19)(H2,15,16,17,20,21)

InChI key: InChIKey=XDTHUODSNXIPFK-UHFFFAOYSA-N

SMILES: O=C(OC(C)(C)C)NC(=NCCC(=O)O)NC(=O)OC(C)(C)C

Synonyms:

• N-[Bis[[(1,1-dimethylethoxy)carbonyl]amino]methylene]-β-alanine
• β-Alanine, N-[bis[[(1,1-dimethylethoxy)carbonyl]amino]methylene]-
• 3-[N,N′-Bis(tert-butoxycarbonyl)guanidino]propionic acid

β-Alanine, N-[bis[[(1,1-dimethylethoxy)carbonyl]amino]methylene]-

CAS: 158478-77-4

• Formula: C₁₄H₂₅N₃O₆
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 331.3648

3-((2,2,10,10-Tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-ylidene)amino)propanoic acid

CAS: 158478-77-4

• Purity: 95%
• Molecular weight: 331.36g/mol

3-((2,2,10,10-Tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-ylidene)amino)propanoic acid

CAS: 158478-77-4

• Purity: 97%
• Molecular weight: 331.3689880371094

3-[(2-Methylpropan-2-yl)oxycarbonyl-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]propanoic acid

CAS: 158478-77-4

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• Formula: C₁₄H₂₅N₃O₆
• Purity: Min. 95%
• Molecular weight: 331.36 g/mol