2,9-Dibutyl-5-picrylamino-1,10-phenanthroline

Base Information

• Chemical Name: 2,9-Dibutyl-5-picrylamino-1,10-phenanthroline
• CAS No.: 173929-82-3
• Molecular Formula: C₂₆H₂₆N₆O₆
• Molecular Weight: 518.529
• DSSTox Substance ID: DTXSID10693725
• Nikkaji Number: J701.599B
• Wikidata: Q82622756
• Mol file: 173929-82-3.mol

Synonyms:173929-82-3;2,9-Dibutyl-5-picrylamino-1,10-phenanthroline;2,9-dibutyl-N-(2,4,6-trinitrophenyl)-1,10-phenanthrolin-5-amine;1,10-Phenanthrolin-5-amine, 2,9-dibutyl-N-(2,4,6-trinitrophenyl)-;SCHEMBL23037090;2,9-DI-N-BUTYL-5-PICRYLAMINO-1,10-PHENANTHROLINE;DTXSID10693725;2,9-Dibutyl-5-(2,4,6-trinitrophenylamino)-1,10-phenanthroline;N-(2,4,6-Trinitrophenyl)-2,9-dibutyl-1,10-phenanthrolin-5-amine

Chemical Property of 2,9-Dibutyl-5-picrylamino-1,10-phenanthroline

Chemical Property:

• Boiling Point: 621.8±55.0 °C(Predicted)
• PKA: 5.69±0.30(Predicted)
• PSA: 175.27000
• Density: 1.374±0.06 g/cm3(Predicted)
• LogP: 8.57900
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 518.19138257
• Heavy Atom Count: 38
• Complexity: 807

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,9-DI-N-BUTYL-5-PICRYLAMINO-1,10-PHENANTHROLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=NC2=C3C(=C(C=C2C=C1)NC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C=CC(=N3)CCCC

Technology Process of 2,9-Dibutyl-5-picrylamino-1,10-phenanthroline

There total 3 articles about 2,9-Dibutyl-5-picrylamino-1,10-phenanthroline 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:

2,9-di-n-butyl-1,10-phenanthroline (85575-93-5) → (2,9-Dibutyl-[1,10]phenanthrolin-5-yl)-(2,4,6-trinitro-phenyl)-amine (173929-82-3)

Guidance literature:

Multi-step reaction with 3 steps

1: NO₂BF₄ / acetonitrile

2: H₂ / 10percent Pd/C / ethanol

With nitronium tetrafluoborate; hydrogen; palladium on activated charcoal; In ethanol; acetonitrile;

DOI:10.1246/cl.1996.15

Reference yield:

2,9-dibutyl-5-nitro-1,10-phenanthroline (173929-80-1) → (2,9-Dibutyl-[1,10]phenanthrolin-5-yl)-(2,4,6-trinitro-phenyl)-amine (173929-82-3)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / 10percent Pd/C / ethanol

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1246/cl.1996.15

Reference yield:

2,4,6-trinitrochlorobenzene (88-88-0) + 5-amino-2,9-dibutyl-1,10-phenanthroline → (2,9-Dibutyl-[1,10]phenanthrolin-5-yl)-(2,4,6-trinitro-phenyl)-amine (173929-82-3)

Guidance literature:

DOI:10.1246/cl.1996.15

upstream raw materials:

2,4,6-trinitrochlorobenzene

2,9-di-n-butyl-1,10-phenanthroline

2,9-dibutyl-5-nitro-1,10-phenanthroline

Refernces