Bengamide E

Base Information

• Chemical Name: Bengamide E
• CAS No.: 118477-03-5
• Molecular Formula: C17H30 N2 O6
• Molecular Weight: 358.435
• Nikkaji Number: J274.277B
• Wikidata: Q105217935
• Metabolomics Workbench ID: 133165
• ChEMBL ID: CHEMBL376628
• Mol file: 118477-03-5.mol

Synonyms:bengamide E

Chemical Property of Bengamide E

Chemical Property:

• Vapor Pressure: 5.39E-22mmHg at 25°C
• Boiling Point: 689.4°Cat760mmHg
• PKA: 12.65±0.20(Predicted)
• Flash Point: 370.7°C
• PSA: 135.10000
• Density: 1.21g/cm³
• LogP: 0.19740
• XLogP3: 0
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 358.21038668
• Heavy Atom Count: 25
• Complexity: 468

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C=CC(C(C(C(C(=O)NC1CCCCNC1=O)OC)O)O)O
• Isomeric SMILES: CC(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1CCCCNC1=O)OC)O)O)O

Technology Process of Bengamide E

There total 1 articles about Bengamide E 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:

2-aminocaprolactam (21568-87-6) → bengamide E (118477-03-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / dioxane / 15 h / Heating

2: 70 percent / Na; NH₃ / tetrahydrofuran; 2-methyl-propan-2-ol / 0.33 h / -78 °C

3: 95 percent / TBAF / tetrahydrofuran / 2 h / 0 °C

With tetrabutyl ammonium fluoride; ammonia; sodium; In tetrahydrofuran; 1,4-dioxane; tert-butyl alcohol;

DOI:10.1002/hlca.200290026

upstream raw materials:

2-aminocaprolactam

Refernces

• 1、 Mukai, Chisato,Kataoka, Osamu,Hanaoka, Miyoji. "A cobalt-complexed propyanl in organic synthesis: A highly stereoselective total synthesis of bengamide E". . p. 6899 - 6902. Retrieved 2007/10/02.