CAS 111466-62-7

[(1S)-1-[[(2R,3R)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] (2R)-2-formamido-4-methyl-pentanoate

Description:

The chemical substance with the name "[(1S)-1-[[(2R,3R)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] (2R)-2-formamido-4-methyl-pentanoate" and CAS number "111466-62-7" is a complex organic compound characterized by its unique structural features. It contains multiple functional groups, including an oxetanone ring, a formamido group, and a long aliphatic dodecyl chain, which contribute to its amphiphilic nature. This amphiphilicity suggests potential applications in surfactants or emulsifiers, as the hydrophobic dodecyl chain can interact with nonpolar substances while the polar functional groups can interact with water. The stereochemistry indicated by the (1S) and (2R,3R) designations suggests that the compound has specific three-dimensional orientations, which can influence its biological activity and interactions with other molecules. Additionally, the presence of a ketone and amide functional groups may impart reactivity and solubility characteristics that are relevant in various chemical and biological contexts. Overall, this compound's structural complexity and functional diversity make it a subject of interest in fields such as medicinal chemistry and materials science.

Formula: C₂₉H₅₃NO₅

InChI: InChI=1/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25+,26+,27+/m0/s1

(S,S,R,R)-Orlistat

CAS: 111466-62-7

Formula: C₂₉H₅₃NO₅

Color and Shape: Colorless Liquid

Molecular weight: 495.75

Ref: 4Z-O-0187

(S,S,R,R)-Orlistat

CAS: 111466-62-7

Applications Orlistat isomer. Used in the asymmetric synthesis of Orlistat (O686500).
References Barbier, P., et al.: Helv. Chimica Acta, 70, 196 (1987),

Formula: C₂₉H₅₃NO₅

Color and Shape: Neat

Molecular weight: 495.73

Ref: TR-O686490

N-Formyl-L-leucine (1S)-1-[[(2R,3R)-3-hexyl-4-oxo-2-oxetanyl] methyl] dodecyl ester

CAS: 111466-62-7

N-Formyl-L-leucine (1S)-1-[[(2R,3R)-3-hexyl-4-oxo-2-oxetanyl] methyl] dodecyl ester is an impurity in the drug product. It can be used as a custom synthesis or natural standard and has been shown to have metabolites that are toxic to human cells. This impurity can be synthesized for HPLC analysis and research purposes.

Formula: C₂₉H₅₃NO₅

Purity: Min. 95%

Molecular weight: 495.73 g/mol

Ref: 3D-IF26581

(S,S,R,R)-Orlistat

CAS: 111466-62-7

Formula: C₂₉H₅₃NO₅

Molecular weight: 495.74

Ref: ST-EA-CP-O11016