130676-65-2

Basic information

• Product Name: N-Formyl-L-leucine (3S,4S,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester
• Synonyms: N-Formyl-L-leucine (3S,4S,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester;Ro 40-4441
• CAS NO: 130676-65-2
• Molecular Formula: C29H53NO5
• Molecular Weight: 495.73482
• Product Categories: Amino Acids & Derivatives;Chiral Reagents;Heterocycles;Impurities;Isotope Labelled Compounds;Amino Acids & Derivatives, Chiral Reagents, Heterocycles, Impurities, Isotope Labelled Compounds
• Mol File: 130676-65-2.mol

Chemical Properties

• Boiling Point: 632.638°C at 760 mmHg
• Flash Point: 336.408°C
• Appearance: /
• Density: 1.002g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.482
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• CAS DataBase Reference: N-Formyl-L-leucine (3S,4S,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester(CAS DataBase Reference)
• NIST Chemistry Reference: N-Formyl-L-leucine (3S,4S,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester(130676-65-2)
• EPA Substance Registry System: N-Formyl-L-leucine (3S,4S,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester(130676-65-2)

Safety Data

• Hazardous Substances Data: 130676-65-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
N-Formyl-L-leucine (3S,4S,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester is used as an impurity in the synthesis of Orlistat (O686500) for its role in the development and production of weight loss medications. Its presence as an impurity is significant for quality control and ensuring the safety and efficacy of the final pharmaceutical product.
Used in Chemical Research:
As a by-product during the synthesis of N-Formyl-L-leucine (3S,4R,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester (F700570), this compound may be utilized in chemical research to study its properties, potential applications, and to optimize the synthesis process for the desired compound.
Used in Deuterated Analogs:
As a deuterated analog of an impurity in the synthesis of Orlistat, this compound may be employed in research involving isotope labeling techniques. These techniques are valuable for understanding the behavior of molecules in various chemical and biological processes, as well as for developing new drugs and materials with improved properties.

InChI:InChI=1/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24-21-27(25(28(32)34-24)19-17-10-8-6-2)35-29(33)26(30-22-31)20-23(3)4/h22-27H,5-21H2,1-4H3,(H,30,31)/i3D3

Upstream product

• 186581-53-3 diazomethane 
• 104872-04-0 Orlistat 
• 5338-45-4 N-formyl-L-leucine 
• 68711-33-1 (3S,4S,6S)-3-Hexyl-3,4,5,6-tetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one 
• 130705-32-7 N-Formyl-L-leucine (S)-1-<(2S,3S)-2-(Benzyloxy)-3-<(benzyloxy)carbonyl>-3-hexylpropyl>dodecyl Ester 
• 96829-58-2 Tetrahydrolipstatin 
• 130793-32-7 benzyl (2S,3S,5R)-3-(benzyloxy)-2-hexyl-5-hydroxyhexadecanoate 

Relevant articles and documents

Tetrahydrolipstatin: Thermal and hydrolytic degradation

The thermal and hydrolytic degradation of tetrahydrolipstatin (THL, 1) was investigated. All main degradation products were isolated, characterized, and synthesized. Labile intermediates unavailable to isolation were detected and identified by GC/MS analysis of their silylated derivatives, and whenever possible, compared with independently prepared reference compounds. The identified degradation products represent at least 97% of the total degradation mixture. Two main reaction pathways are proposed. Pharmacological data are reported for the degradation mixture and the main degradation products.