Dioxidine

Base Information

• Chemical Name: Dioxidine
• CAS No.: 17311-31-8
• Molecular Formula: C10H10N2O4
• Molecular Weight: 222.2
• Hs Code.: 2933990090
• UNII: 16BOP9XE0F
• DSSTox Substance ID: DTXSID00169525
• Nikkaji Number: J14.782F
• Wikidata: Q4138123
• Mol file: 17311-31-8.mol

Synonyms:2,3-di(hydroxymethyl)quinoxaline di-N-oxide;2,3-quinoxalinedimethanol, 1,4-dioxide;2,3-quinoxalinedimethanol-1,4-dioxide;chinoxalindimethanol dioxide;dioxidine;dioxydine;sulfonium, trimethyl-, 2,3-bis(hydroxymethyl)quinoxaline-1,4-di-N-oxide

Chemical Property of Dioxidine

Chemical Property:

• Melting Point: 171-172 °C
• Refractive Index: 1.6620 (estimate)
• Boiling Point: 365.61°C (rough estimate)
• PKA: 11.05±0.10(Predicted)
• PSA: 91.38000
• Density: 1.50 g/cm³
• LogP: 0.68140
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 222.06405680
• Heavy Atom Count: 16
• Complexity: 299

Purity/Quality:

99% ^*data from raw suppliers

Dioxidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N(C(=C([N+]2=O)CO)CO)[O-]
• Recent ClinicalTrials: Efficacy and Safety of Dioxidin Versus Miramistin in Superficial Pyoderma
• Uses: Dioxidine is a useful compound for identification of triazole and imidazole derivatives as antitubercular agents.

Technology Process of Dioxidine

There total 7 articles about Dioxidine 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: 93.3%

2,3-bis(hydroxymethyl)quinoxaline (7065-97-6) → dioxidine (17311-31-8)

Guidance literature:

With dihydrogen peroxide; trifluoroacetic anhydride; In dichloromethane; at 35 - 40 ℃; for 24h; Reagent/catalyst;

Reference yield:

2,3-dimethylquinoxaline (2379-55-7) → dioxidine (17311-31-8)

Guidance literature:

Multi-step reaction with 3 steps

1: ortho-tungstic acid; dihydrogen peroxide / 24 h / 35 - 40 °C

2: acetic anhydride / 55 - 65 °C

3: trifluoroacetic anhydride; dihydrogen peroxide / dichloromethane / 24 h / 35 - 40 °C

With dihydrogen peroxide; acetic anhydride; ortho-tungstic acid; trifluoroacetic anhydride; In dichloromethane;

Reference yield:

1,2-diamino-benzene (95-54-5) → dioxidine (17311-31-8)

Guidance literature:

Multi-step reaction with 4 steps

1: tris(pentafluorophenyl)borate / 2 h / 40 - 75 °C

2: ortho-tungstic acid; dihydrogen peroxide / 24 h / 35 - 40 °C

3: acetic anhydride / 55 - 65 °C

4: trifluoroacetic anhydride; dihydrogen peroxide / dichloromethane / 24 h / 35 - 40 °C

With tris(pentafluorophenyl)borate; dihydrogen peroxide; acetic anhydride; ortho-tungstic acid; trifluoroacetic anhydride; In dichloromethane;

upstream raw materials:

2,3-bis(acetoxymethyl)-quinoxaline-1,4-di-N-oxide

2,3-bis(bromomethyl)quinoxaline

2,3-bis(bromomethyl)quinoxaline 1,4-di-N-oxide

2,3-dimethylquinoxaline

Downstream raw materials:

quinoxaline dicarboxyaldehyde-2,3

quinoxaline-2,3-dione

2-Hydroxymethyl-3-oxo-3,4-dihydroquinoxaline 1-N-oxide

Refernces

• 1、 Horn, G.,Schulze, W.,Tresselt, D.. "Polarographic Investigations of Quinoxaline-N-oxides". . p. 156 - 160. Retrieved 2007/10/02.