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10-(2-Methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione

Base Information
  • Chemical Name:10-(2-Methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione
  • CAS No.:81797-27-5
  • Molecular Formula:C23H23N3O2
  • Molecular Weight:373.455
  • Hs Code.:
  • NSC Number:374337
  • DSSTox Substance ID:DTXSID50398686
  • Wikidata:Q82200803
  • Metabolomics Workbench ID:101485
  • Mol file:81797-27-5.mol
10-(2-Methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione

Synonyms:10-(2-Methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione;DTXSID50398686;NSC374337

Suppliers and Price of 10-(2-Methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Cayman Chemical
  • Aszonalenin ≥95%
  • 5mg
  • $ 876.00
  • Cayman Chemical
  • Aszonalenin ≥95%
  • 1mg
  • $ 219.00
Total 9 raw suppliers
Chemical Property of 10-(2-Methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione
Chemical Property:
  • PSA:61.44000 
  • LogP:3.96890 
  • XLogP3:4.2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:2
  • Exact Mass:373.17902698
  • Heavy Atom Count:28
  • Complexity:704
Purity/Quality:

95% *data from raw suppliers

Aszonalenin ≥95% *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(C)(C=C)C12CC3C(=O)NC4=CC=CC=C4C(=O)N3C1NC5=CC=CC=C25
Technology Process of 10-(2-Methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione

There total 5 articles about 10-(2-Methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione 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:
Guidance literature:
With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 25 ℃; for 30h; Inert atmosphere;
DOI:10.1021/ja509893s
Guidance literature:
With AnaPT from Neosartorya fischeri; calcium chloride; In water; glycerol; at 37 ℃; for 24h; pH=7.5; Tris-HCl buffer; Enzymatic reaction;
DOI:10.1039/b902413a
Guidance literature:
Multi-step reaction with 3 steps
1.1: n-butyllithium / hexane; tetrahydrofuran / 0.33 h / 0 °C
1.2: 4 h / 0 - 23 °C
2.1: (1s,5s)-9-hexyl-9-borabicyclo[3.3.1]nonane; potassium hexamethylsilazane / tetrahydrofuran; 1,4-dioxane / 0.17 h / 0 °C / Schlenk technique; Glovebox
2.2: 0.67 h / 0.24 °C / Inert atmosphere
2.3: 3 h / 0 °C / Inert atmosphere
3.1: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / dichloromethane / 30 h / 25 °C / Inert atmosphere
With n-butyllithium; potassium hexamethylsilazane; triethylamine; (1s,5s)-9-hexyl-9-borabicyclo[3.3.1]nonane; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In tetrahydrofuran; 1,4-dioxane; hexane; dichloromethane;
DOI:10.1021/ja509893s
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