5-Phenyl-1,10-phenanthroline

Base Information

• Chemical Name: 5-Phenyl-1,10-phenanthroline
• CAS No.: 6153-89-5
• Molecular Formula: C18H12N2
• Molecular Weight: 256.307
• Hs Code.: 2933990090
• European Community (EC) Number: 228-172-4
• DSSTox Substance ID: DTXSID0064127
• Nikkaji Number: J211.422D
• Wikidata: Q72498115
• Mol file: 6153-89-5.mol

Synonyms:5-phenyl-1,10-phenanthroline

Chemical Property of 5-Phenyl-1,10-phenanthroline

Chemical Property:

• Vapor Pressure: 2.07E-07mmHg at 25°C
• Melting Point: 202-203℃
• Refractive Index: 1.72
• Boiling Point: 436.4 °C at 760 mmHg
• PKA: 4.56±0.10(Predicted)
• Flash Point: 192.4 °C
• PSA: 25.78000
• Density: 1.223 g/cm³
• LogP: 4.45000
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 256.100048391
• Heavy Atom Count: 20
• Complexity: 323

Purity/Quality:

97% ^*data from raw suppliers

5-Phenyl-1,10-phenanthroline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C3C=CC=NC3=C4C(=C2)C=CC=N4

Technology Process of 5-Phenyl-1,10-phenanthroline

There total 7 articles about 5-Phenyl-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: 88.3%

5-bromo-1,10-phenanthroline (40000-20-2) + phenylboronic acid (98-80-6) → 5-phenyl-1,10-phenanthroline (6153-89-5)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In tetrahydrofuran; at 60 ℃; for 8h;

Reference yield: 72.0%

(Z)-2-bromo-3-(2-(2-bromopyridin-3-yl)-2-phenylvinyl)pyridine (1028424-68-1) → 5-phenyl-1,10-phenanthroline (6153-89-5)

Guidance literature:

With copper; In N,N-dimethyl-formamide; for 2h; Heating;

DOI:10.1016/j.tetlet.2008.02.149

Reference yield: 15.0%

(E)-3-styryl-2,2'-bipyridine → 5-phenyl-1,10-phenanthroline (6153-89-5)

Guidance literature:

With trifluoroacetic acid; In ethanol; at 20 ℃; Sealed tube; Irradiation; Inert atmosphere;

DOI:10.1039/d1ob01674a

upstream raw materials:

6-phenyl-8-aminoquinoline

6-phenyl-8-nitroquinoline

4-acetamido-3-nitro-biphenyl

(Z)-2-bromo-3-(2-(2-bromopyridin-3-yl)-2-phenylvinyl)pyridine

Downstream raw materials:

C₅₄H₃₆N₆Rh⁽³⁺⁾

Cu(C₁₂H₇N₂(C₆H₅))(P(C₆H₅)3)2⁽¹⁺⁾*BF₄^(1-)=(Cu(C₁₂H₇N₂(C₆H₅))(P(C₆H₅)3)2)BF₄

W(CO)4(5-phenyl-1,10-phenanthroline)

Mo(CO)4(5-phenyl-1,10-phenanthroline)

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