2,9-Dibutyl-1,10-phenanthroline

Base Information

• Chemical Name: 2,9-Dibutyl-1,10-phenanthroline
• CAS No.: 85575-93-5
• Molecular Formula: C20H24N2
• Molecular Weight: 292.424
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90538988
• Nikkaji Number: J557.104I
• Wikidata: Q82414580
• Mol file: 85575-93-5.mol

Synonyms:2,9-dibutyl-1,10-phenanthroline

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

Chemical Property:

• Vapor Pressure: 3.75E-07mmHg at 25°C
• Melting Point: 58oC
• Boiling Point: 428.6oC at 760 mmHg
• PKA: 6.04±0.30(Predicted)
• Flash Point: 178.3oC
• PSA: 25.78000
• Density: 1.06g/cm3
• LogP: 5.46820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 292.193948774
• Heavy Atom Count: 22
• Complexity: 298

Purity/Quality:

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

2,9-Dibutyl-1,10-phenanthroline >98.0%(N) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=NC2=C(C=CC3=C2N=C(C=C3)CCCC)C=C1

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

There total 4 articles about 2,9-Dibutyl-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: 88.0%

n-butyllithium (109-72-8,29786-93-4) + 1,10-Phenanthroline (66-71-7) → 2,9-di-n-butyl-1,10-phenanthroline (85575-93-5)

Guidance literature:

n-butyllithium; 1,10-Phenanthroline; In tetrahydrofuran; hexane; at 20 ℃; for 18h;

With manganese(IV) oxide; for 1h;

DOI:10.1039/c5cc07005h

Reference yield: 55.0%

1,10-Phenanthroline (66-71-7) + propyllithium (2417-93-8) → 2,9-di-n-butyl-1,10-phenanthroline (85575-93-5) + 2-n-butyl-1,10-phenanthroline (95631-67-7)

Guidance literature:

With potassium permanganate; Yield given. Multistep reaction; 1.) benzene/hexane, 3 h, 0 deg C; 2.) acetone;

Reference yield: 16.0%

n-butyllithium (109-72-8,29786-93-4) + 1,10-Phenanthroline (66-71-7) → 2,9-di-n-butyl-1,10-phenanthroline (85575-93-5) + 2-n-butyl-1,10-phenanthroline (95631-67-7)

Guidance literature:

With potassium permanganate; Yield given. Multistep reaction; 1.) benzene/hexane, 3 h, 0 deg C; 2.) acetone;

upstream raw materials:

n-butyllithium

1,10-Phenanthroline

propyllithium

Downstream raw materials:

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

2,9-di-n-butyl-1,10-phenanthroline-5,6-dione

CuCl(2,9-di-n-butyl-1,10-phenanthroline)2

[Cu(2,9-di-n-butylphenanthroline)(2,9-di-n-butylphenanthroline)]BF₄

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