Westiellamide

Base Information

• Chemical Name: Westiellamide
• CAS No.: 131998-54-4
• Molecular Formula: C₂₇H₄₂N₆O₆
• Molecular Weight: 546.667
• DSSTox Substance ID: DTXSID40927489
• Nikkaji Number: J571.260B
• Wikidata: Q27149220
• Metabolomics Workbench ID: 172615
• ChEMBL ID: CHEMBL486264
• Mol file: 131998-54-4.mol

Synonyms:cycloxazoline;trisoxazoline;westiellamide

Chemical Property of Westiellamide

Chemical Property:

• Vapor Pressure: 1.99E-24mmHg at 25°C
• Boiling Point: 782.3°Cat760mmHg
• PKA: 11.72±0.70(Predicted)
• Flash Point: 426.9°C
• PSA: 162.54000
• Density: 1.42g/cm³
• LogP: 0.11430
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 546.31658308
• Heavy Atom Count: 39
• Complexity: 952

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Cyclamide (Microcyclamide)
• Canonical SMILES: CC1C2C(=O)NC(C3=NC(C(O3)C)C(=O)NC(C4=NC(C(O4)C)C(=O)NC(C(=N2)O1)C(C)C)C(C)C)C(C)C
• Isomeric SMILES: C[C@@H]1[C@H]2C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=N[C@@H]([C@H](O4)C)C(=O)N[C@H](C(=N2)O1)C(C)C)C(C)C)C(C)C

Technology Process of Westiellamide

There total 2 articles about Westiellamide 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-(1-amino-2-methylpropyl)-4-carbomethoxy-5-methyl-trans-oxazoline (220717-56-6) → westiellamide (131998-54-4) + C36H56N8O8

Guidance literature:

With diphenyl phosphoryl azide; In N,N-dimethyl-formamide; at 0 - 22 ℃; for 72h; Yield given. Yields of byproduct given;

DOI:10.1021/ja00053a052

Reference yield:

(4S,5R)-2-((S)-1-Amino-2-methyl-propyl)-5-methyl-4,5-dihydro-oxazole-4-carboxylic acid → westiellamide (131998-54-4) + C36H56N8O8

Guidance literature:

With diphenyl-phosphinic acid; In N,N-dimethyl-formamide; at 0 - 22 ℃; for 95h;

DOI:10.1016/S0040-4020(00)00767-5

upstream raw materials:

2-(1-amino-2-methylpropyl)-4-carbomethoxy-5-methyl-trans-oxazoline

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