3,7,11-Tribenzyl-3,4,7,8,11,12-hexahydro-2h,6h,10h-benzo[1,2-e:3,4-e':5,6-e'']tris[1,3]oxazine

Base Information

• Chemical Name: 3,7,11-Tribenzyl-3,4,7,8,11,12-hexahydro-2h,6h,10h-benzo[1,2-e:3,4-e':5,6-e'']tris[1,3]oxazine
• CAS No.: 6638-82-0
• Molecular Formula: C₃₃H₃₃N₃O₃
• Molecular Weight: 519.643
• NSC Number: 48459
• DSSTox Substance ID: DTXSID60985026
• Wikidata: Q82972439
• ChEMBL ID: CHEMBL4789595
• Mol file: 6638-82-0.mol

Synonyms:6638-82-0;3,7,11-tribenzyl-3,4,7,8,11,12-hexahydro-2h,6h,10h-benzo[1,2-e:3,4-e':5,6-e'']tris[1,3]oxazine;NSC48459;CHEMBL4789595;DTXSID60985026;NSC-48459

Chemical Property of 3,7,11-Tribenzyl-3,4,7,8,11,12-hexahydro-2h,6h,10h-benzo[1,2-e:3,4-e':5,6-e'']tris[1,3]oxazine

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 519.25219192
• Heavy Atom Count: 39
• Complexity: 659

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2=C(C3=C(C4=C2OCN(C4)CC5=CC=CC=C5)OCN(C3)CC6=CC=CC=C6)OCN1CC7=CC=CC=C7

Technology Process of 3,7,11-Tribenzyl-3,4,7,8,11,12-hexahydro-2h,6h,10h-benzo[1,2-e:3,4-e':5,6-e'']tris[1,3]oxazine

There total 1 articles about 3,7,11-Tribenzyl-3,4,7,8,11,12-hexahydro-2h,6h,10h-benzo[1,2-e:3,4-e':5,6-e'']tris[1,3]oxazine 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3,5-dihydroxyphenol (108-73-6) + benzylamine (100-46-9) → NCI-48455 (6638-82-0)

Guidance literature:

With 1,4-dioxane;

DOI:10.1021/ja01166a094

upstream raw materials:

formaldehyd

3,5-dihydroxyphenol

benzylamine