4,5,9,10-Tetraazaphenanthrene

Base Information

• Chemical Name: 4,5,9,10-Tetraazaphenanthrene
• CAS No.: 653-05-4
• Molecular Formula: C10H6N4
• Molecular Weight: 182.184
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90409003
• Nikkaji Number: J721.831A
• Wikidata: Q72463253
• Mol file: 653-05-4.mol

Synonyms:4,5,9,10-Tetraazaphenanthrene;653-05-4;Dipyrido[3,2-c:2',3'-e]pyridazine;3,8,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,8,11,13-heptaene;SCHEMBL9058058;DTXSID90409003;5,6-Diaza-1,10-Phenanthroline;AKOS016013981;FT-0632755;3,8,9,14-tetrazatricyclo[8.4.0.0^{2,7]tetradeca-1(10),2(7),3,5,8,11,13-heptaene

Chemical Property of 4,5,9,10-Tetraazaphenanthrene

Chemical Property:

• Melting Point: 225-230 °C
• Boiling Point: 395.7 °C at 760 mmHg
• PKA: 0.22±0.30(Predicted)
• Flash Point: 219.6 °C
• PSA: 51.56000
• Density: 1.395 g/cm³
• LogP: 1.57300
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 182.059246208
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

99%, ^*data from raw suppliers

Dipyrido[3,2-c:2',3'-e]pyridazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C3=C(C=CC=N3)N=N2)N=C1

Technology Process of 4,5,9,10-Tetraazaphenanthrene

There total 4 articles about 4,5,9,10-Tetraazaphenanthrene 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: 23.0%

9-imino-4,5,9,10-tetraazaphenanthrene (105186-66-1) → dipyrido[3,2-c:2',3'-e]pyridazine (653-05-4) + <2.2'-bispyridine>-3-amine (105166-53-8)

Guidance literature:

In various solvent(s); for 2h; Heating;

Reference yield:

2,2'-bipyridine-3,3'-diamine (75449-26-2) → dipyrido[3,2-c:2',3'-e]pyridazine (653-05-4) + <2.2'-bispyridine>-3-amine (105166-53-8)

Guidance literature:

With sulfuric acid; ammonia; copper; copper(II) sulfate; sodium nitrite; Yield given. Multistep reaction. Yields of byproduct given;

Reference yield:

2,2'-bipyridine-3,3'-diamine (75449-26-2) → dipyrido[3,2-c:2',3'-e]pyridazine (653-05-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 30 percent / isopentylnitrite / benzene / 12 h / Heating

2: 53 percent / various solvent(s) / 2 h / Heating

With isopentyl nitrite; In benzene;

upstream raw materials:

9-imino-4,5,9,10-tetraazaphenanthrene

2,2'-bipyridine-3,3'-diamine

Downstream raw materials:

acetonitrile

Refernces