4,5-DIAZAFLUOREN-9-ONE

Base Information

• Chemical Name: 4,5-DIAZAFLUOREN-9-ONE
• CAS No.: 50890-67-0
• Molecular Formula: C11H6N2O
• Molecular Weight: 182.181
• Hs Code.: 29333990
• Mol file: 50890-67-0.mol

Synonyms:4,5-Diazafluoren-9-one;4,5-Diazafluorenone;Cyclopenta[2,1-b:3,4-b']dipyridine-5-one;Dafone;NSC377648;

Chemical Property of 4,5-DIAZAFLUOREN-9-ONE

Chemical Property:

• Vapor Pressure: 1.72E-06mmHg at 25°C
• Melting Point: 214-217 °C(lit.)
• Refractive Index: 1.688
• Boiling Point: 214-217 °C(lit.)
• PKA: 1.22±0.20(Predicted)
• Flash Point: 196.1 °C
• PSA: 42.85000
• Density: 1.387 g/cm³
• LogP: 1.68800
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in dichloromethane, tetrahydrofuran, chloroform, benzene

Purity/Quality:

98%, ^*data from raw suppliers

5H-Cyclopenta[2,1-b:3,4-b'']dipyridin-5-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4,5-Diazafluoren-9-one behaves like cyclopentadienones and reacts with [Cp*Co(C2H4)2] to form air -stable sandwich-type complexes [Cp*Co(η4-2)].

Technology Process of 4,5-DIAZAFLUOREN-9-ONE

There total 8 articles about 4,5-DIAZAFLUOREN-9-ONE 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: 69.0%

1,10-Phenanthroline (66-71-7) → 4,5-Diazafluoren-9-one (50890-67-0) + 3,3'-bis(hydroxycarbonyl)-2,2'-bipyridine (4433-01-6) + 1H-cyclopenta<2,1-b:3,4-b'>dipyridine-2,5-dione (143825-63-2)

Guidance literature:

With potassium hydroxide; potassium permanganate; Heating;

Reference yield:

2-Chloro-1,4-benzoquinone (695-99-8) + [PdI(μ-4,5-diazafluoren-9-one)(acetato)]2 → 4,5-Diazafluoren-9-one (50890-67-0) + palladium diacetate (3375-31-3) + chloro-p-hydroquinone (615-67-8)

Guidance literature:

With acetic acid; In 1,4-dioxane; tetradeuterioacetic acid; at 20 ℃; for 24h; Equilibrium constant; Inert atmosphere; Glovebox;

DOI:10.1021/jacs.0c09464

Reference yield:

2,5-Dimethyl-1,4-benzoquinone (137-18-8) + [PdI(μ-4,5-diazafluoren-9-one)(acetato)]2 → 4,5-Diazafluoren-9-one (50890-67-0) + 2,5-dimethylhydroquinone (615-90-7) + palladium diacetate (3375-31-3)

Guidance literature:

With acetic acid; In 1,4-dioxane; tetradeuterioacetic acid; at 20 ℃; for 24h; Equilibrium constant; Inert atmosphere; Glovebox;

DOI:10.1021/jacs.0c09464

upstream raw materials:

1,10-Phenanthroline

sulfuric acid

sulfur trioxide

nitric acid

Downstream raw materials:

4,5-diazafluorene

9,9'-bis<4,5-diazafluorene>

2,7-dibromo-4,5-diazafluoren-9-one

5-(biphenyl-2-yl)-5H-cyclopenta[1,2-b:5,4-b']dipyridine-5-ol