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CAS 168689-49-4

:

Hexadecyl 4-chloro-3-[[2-(5,5-dimethyl-2,4-dioxo-3-oxazolidinyl)-4,4-dimethyl-1,3-dioxopentyl]amino]benzoate

Description:
Hexadecyl 4-chloro-3-[[2-(5,5-dimethyl-2,4-dioxo-3-oxazolidinyl)-4,4-dimethyl-1,3-dioxopentyl]amino]benzoate, with CAS number 168689-49-4, is a complex organic compound characterized by its long hydrophobic hexadecyl chain, which contributes to its surfactant properties. The presence of a chloro group and an amino group in its structure indicates potential reactivity and the ability to form hydrogen bonds, enhancing its solubility in various solvents. The oxazolidinone and dioxopentyl moieties suggest that it may exhibit biological activity, possibly as a pharmaceutical agent or in other applications. This compound is likely to have a high molecular weight due to its intricate structure, which may influence its physical properties such as melting point, boiling point, and solubility. Additionally, the presence of multiple functional groups may allow for diverse interactions in biological systems, making it a candidate for further research in medicinal chemistry or materials science. Safety and handling precautions should be observed due to the presence of chlorine and other reactive groups.
Formula:C35H53ClN2O7
InChI:InChI=1S/C35H53ClN2O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-44-31(41)25-21-22-26(36)27(24-25)37-30(40)28(29(39)34(2,3)4)38-32(42)35(5,6)45-33(38)43/h21-22,24,28H,7-20,23H2,1-6H3,(H,37,40)
InChI key:InChIKey=AXHHFGVVBVHHPY-UHFFFAOYSA-N
SMILES:C(C(NC1=CC(C(OCCCCCCCCCCCCCCCC)=O)=CC=C1Cl)=O)(C(C(C)(C)C)=O)N2C(=O)OC(C)(C)C2=O
Synonyms:
  • Hexadecyl 4-chloro-3-[[2-(5,5-dimethyl-2,4-dioxo-3-oxazolidinyl)-4,4-dimethyl-1,3-dioxopentyl]amino]benzoate
  • Benzoic acid, 4-chloro-3-[[2-(5,5-dimethyl-2,4-dioxo-3-oxazolidinyl)-4,4-dimethyl-1,3-dioxopentyl]amino]-, hexadecyl ester
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