(7E,10S)-Henicos-7-en-10-yl N-formyl-L-leucinate

Base Information

• Chemical Name: (7E,10S)-Henicos-7-en-10-yl N-formyl-L-leucinate
• CAS No.: 130676-63-0
• Molecular Formula: C₂₈H₅₃NO₃
• Molecular Weight: 451.734
• UNII: W3LAX57YST
• DSSTox Substance ID: DTXSID30562126
• Wikidata: Q82446142
• Mol file: 130676-63-0.mol

Synonyms:130676-63-0;N-Formyl-L-leucine [S-(E)]-1-(2-Nonenyl)dodecyl Ester;W3LAX57YST;(7E,10S)-Henicos-7-en-10-yl N-formyl-L-leucinate;Orlistat henicosenyl leucinate;UNII-W3LAX57YST;[(E,10S)-henicos-7-en-10-yl] (2S)-2-formamido-4-methylpentanoate;L-Leucine, N-formyl-, 1-(2-nonenyl)dodecyl ester, (S-(E))-;DTXSID30562126;(S,E)-Henicos-7-en-10-yl formyl-L-leucinate;N-Formyl-L-leucine [S-(E)]-1-(2-Nonenyl)dodecyl Ester (9Cl)

Chemical Property of (7E,10S)-Henicos-7-en-10-yl N-formyl-L-leucinate

Chemical Property:

• Boiling Point: 565.3±43.0 °C(Predicted)
• PKA: 14.60±0.23(Predicted)
• PSA: 58.89000
• Density: 0.912±0.06 g/cm3(Predicted)
• LogP: 8.73680
• Storage Temp.: -20°C Freezer
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Sligh
• XLogP3: 10.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 23
• Exact Mass: 451.40254455
• Heavy Atom Count: 32
• Complexity: 462

Purity/Quality:

98% ^*data from raw suppliers

N-Formyl-L-leucine[S-(E)]-1-(2-Nonenyl)dodecylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(CC=CCCCCCC)OC(=O)C(CC(C)C)NC=O
• Isomeric SMILES: CCCCCCCCCCC[C@@H](C/C=C/CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
• Uses: A degradation product of Orlistat (O686500).

Technology Process of (7E,10S)-Henicos-7-en-10-yl N-formyl-L-leucinate

There total 3 articles about (7E,10S)-Henicos-7-en-10-yl N-formyl-L-leucinate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

Tetrahydrolipstatin (96829-58-2,104872-04-0,104872-27-7,104872-28-8,111466-61-6,111466-62-7,111466-63-8,130193-40-7,130193-41-8,130193-42-9,130193-43-0,1225451-00-2) → N-Formyl-L-leucine (S,E)-1-(Non-2-enyl)dodecyl Ester (130676-63-0) + (S)-3-Hexyl-5,6-dihydro-6-undecyl-2H-pyran-2-one (130676-64-1)

Guidance literature:

at 200 ℃; for 1h; under 20 Torr; Product distribution; thermal degradation;

DOI:10.1002/hlca.19900730427

Reference yield: 81.0%

Tetrahydrolipstatin (96829-58-2,104872-04-0,104872-27-7,104872-28-8,111466-61-6,111466-62-7,111466-63-8,130193-40-7,130193-41-8,130193-42-9,130193-43-0,1225451-00-2) → N-Formyl-L-leucine (S,E)-1-(Non-2-enyl)dodecyl Ester (130676-63-0)

Guidance literature:

In neat (no solvent); at 200 ℃; for 1h; water pump vacuum;

DOI:10.1002/hlca.19900730427

Reference yield:

Tetrahydrolipstatin (96829-58-2,104872-04-0,104872-27-7,104872-28-8,111466-61-6,111466-62-7,111466-63-8,130193-40-7,130193-41-8,130193-42-9,130193-43-0,1225451-00-2) → N-Formyl-L-leucine (S,E)-1-(Non-2-enyl)dodecyl Ester (130676-63-0) + (2S,3S,5S)-5-<<(S)-2-(Formylamino)-4-methylpentanoyl>oxy>-2-hexyl-3-hydroxyhexadecanoic Acid (130676-66-3,130793-28-1) + (S)-3-Hexyl-5,6-dihydro-6-undecyl-2H-pyran-2-one (130676-64-1) + (3S,4R,6S)-3-Hexyl-3,4,5,6-tetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one (130793-26-9) + N-Formyl-L-leucine (3S,4R,6S)-3-Hexyl-3,4,5,6-tetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester (130793-27-0) + N-Formyl-L-leucine (3S,4S,6S)-3-Hexyl-3,4,5,6-tetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester (130676-65-2)

Guidance literature:

at 45 - 85 ℃; Product distribution; hydrolytic degradation on storage (a: 85percent rel. humidity; b: dry); time: 3 d to 6 months; degradation pathways; degradation in presence of OCHPheOH;

DOI:10.1002/hlca.19900730427

upstream raw materials:

Tetrahydrolipstatin

Refernces