Phthalazine-5,8-dione

Base Information

• Chemical Name: Phthalazine-5,8-dione
• CAS No.: 147088-71-9
• Molecular Formula: C8H4N2O2
• Molecular Weight: 160.132
• DSSTox Substance ID: DTXSID50434816
• Nikkaji Number: J515.861C
• Wikidata: Q82249343
• Mol file: 147088-71-9.mol

Synonyms:Phthalazine-5,8-dione;147088-71-9;5,8-DIHYDROPHTHALAZINE-5,8-DIONE;phthalazin-5,8-dione;SCHEMBL4536691;DTXSID50434816;FGNJUOZCRMSPQI-UHFFFAOYSA-N;AKOS006305362;AT37276;MB08782

Chemical Property of Phthalazine-5,8-dione

Chemical Property:

• PSA: 59.92000
• LogP: 0.41180
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 160.027277375
• Heavy Atom Count: 12
• Complexity: 234

Purity/Quality:

99.90% ^*data from raw suppliers

5,8-Phthalazinedione 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)C2=CN=NC=C2C1=O

Technology Process of Phthalazine-5,8-dione

There total 3 articles about Phthalazine-5,8-dione 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: 58.0%

5-aminophthalazine (102072-84-4) → phthalazine-5,8-dione (147088-71-9)

Guidance literature:

With potassium dichromate; sulfuric acid; In water; at 0 ℃; for 2h;

Reference yield:

PHTHALAZINE (253-52-1) → phthalazine-5,8-dione (147088-71-9)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid; potassium nitrate / 73 h / 100 °C

2: sodium dithionite / tetrahydrofuran; water / 0.25 h / 50 °C

3: sulfuric acid; sodium dichromate / 0.5 h / 0 °C

With sodium dithionite; sodium dichromate; sulfuric acid; potassium nitrate; In tetrahydrofuran; water;

DOI:10.1016/j.bmc.2013.11.003

Reference yield:

5-nitrophthalazine (89898-86-2) → phthalazine-5,8-dione (147088-71-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium dithionite / tetrahydrofuran; water / 0.25 h / 50 °C

2: sulfuric acid; sodium dichromate / 0.5 h / 0 °C

With sodium dithionite; sodium dichromate; sulfuric acid; In tetrahydrofuran; water;

DOI:10.1016/j.bmc.2013.11.003

upstream raw materials:

5-aminophthalazine

5-nitrophthalazine

PHTHALAZINE

Downstream raw materials:

DA 3044