CAS 110544-98-4

Hexanedioic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 6-(phenylmethyl) ester, (2S)-, compd. with N-cyclohexylcyclohexanamine (1:1)

Description:

Hexanedioic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 6-(phenylmethyl) ester, (2S)-, compd. with N-cyclohexylcyclohexanamine (1:1) is a complex organic compound characterized by its ester and amine functional groups. The presence of a hexanedioic acid backbone indicates it has dicarboxylic acid properties, which can influence its solubility and reactivity. The compound features a dimethylethoxycarbonyl group, suggesting it has protective or modifying characteristics that can affect its chemical behavior. The phenylmethyl group contributes to its hydrophobic nature, potentially impacting its interactions in biological systems. The compound's stereochemistry, indicated by the (2S) designation, suggests specific spatial arrangements that can influence its biological activity and interactions with other molecules. As a salt with N-cyclohexylcyclohexanamine, it may exhibit enhanced stability and solubility in certain solvents. Overall, this compound's unique structure and functional groups suggest potential applications in pharmaceuticals or materials science, although specific properties such as melting point, boiling point, and reactivity would require empirical data for comprehensive understanding.

Formula: C₁₈H₂₅NO₆·C₁₂H₂₃N

InChI: InChI=1S/C18H25NO6.C12H23N/c1-18(2,3)25-17(23)19-14(16(21)22)10-7-11-15(20)24-12-13-8-5-4-6-9-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,23)(H,21,22);11-13H,1-10H2/t14-;/m0./s1

InChI key: InChIKey=VREAZPVCHKQJLB-UQKRIMTDSA-N

SMILES: C(OC(CCC[C@H](NC(OC(C)(C)C)=O)C(O)=O)=O)C1=CC=CC=C1.N(C1CCCCC1)C2CCCCC2

Synonyms:

• N-(tert-Butoxycarbonyl)-L-α-aminoadipic acid 6-benzyl ester dicyclohexylammonium salt
• Hexanedioic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 6-(phenylmethyl) ester, (2S)-, compd. with N-cyclohexylcyclohexanamine (1:1)
• Hexanedioic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 6-(phenylmethyl) ester, (S)-, compd. with N-cyclohexylcyclohexanamine (1:1)