3,5-Dinitrocatechol

Base Information

• Chemical Name: 3,5-Dinitrocatechol
• CAS No.: 7659-29-2
• Molecular Formula: C6H4N2O6
• Molecular Weight: 200.108
• European Community (EC) Number: 642-347-6
• UNII: VK0VA22GY2
• DSSTox Substance ID: DTXSID00227391
• Nikkaji Number: J227.993B
• Wikidata: Q223026
• Pharos Ligand ID: J4UFRQ3753F8
• Metabolomics Workbench ID: 146714
• ChEMBL ID: CHEMBL168276
• Mol file: 7659-29-2.mol

Synonyms:3,5-dinitrocatechol;3,5-dinitropyrocatechol;OR 486;OR-486;OR486;Ro 01-2812;Ro 12812

Chemical Property of 3,5-Dinitrocatechol

Chemical Property:

• Vapor Pressure: 1.64E-05mmHg at 25°C
• Melting Point: 166-166.5℃
• Boiling Point: 354.5°C at 760 mmHg
• Flash Point: 162.2°C
• PSA: 132.10000
• Density: 1.819g/cm3
• LogP: 1.96060
• Storage Temp.: 2-8°C
• Solubility.: H2O: 0.17 mg/mL Solutions may be stored for several days at
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 200.00693585
• Heavy Atom Count: 14
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

OR-486 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-]
• Uses: OR 486 is an anti-inflammatory agent used in the treatment of rheumatoid arthritis and osteoarthritis. Entacapone (E588500) impurity.

Technology Process of 3,5-Dinitrocatechol

There total 12 articles about 3,5-Dinitrocatechol 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: 95.0%

2,4-dinitro-6-pentafluorophenyliodoniophenolate (89563-21-3) → 3,5-dinitrocatechol (7659-29-2)

Guidance literature:

With sodium hydroxide; In methanol; for 2h;

Reference yield: 35.0%

2,4-dinitro-6-phenyliodonium phenolate (89563-18-8) → 3,5-dinitrocatechol (7659-29-2)

Guidance literature:

With sodium hydroxide; In methanol; for 2h;

Reference yield:

dinoseb (88-85-7) → 3,5-dinitrosalicylaldehyde (2460-59-5) + 1,2-dihydroxy-4-nitrobenzene (3316-09-4) + 3,5-dinitrocatechol (7659-29-2)

Guidance literature:

With TiO₂ nanoparticles loaded on silica-alumina aerogels from industrial fly ash; In water; at 40 - 280 ℃; for 5h; pH=4.86; Reagent/catalyst; Concentration; Kinetics; UV-irradiation;

DOI:10.1016/S1872-2067(16)62546-9

upstream raw materials:

2-methoxy-4,6-dinitrophenol

dimethyl phthalate

2,4-dinitro-6-pentafluorophenyliodoniophenolate

2,4-dinitro-6-phenyliodonium phenolate

Downstream raw materials:

Pt(O₂C₆H₂-3,5-(NO₂)2)(PCH₃(C₆H₅)2)2

Pt(O₂C₆H₂-3,5-(NO₂)2)(P(CH₃)2(C₆H₅))2

1,2-diacetoxy-3,5-dinitro-benzene

1,2-dipropionyloxy-3,5-dinitrobenzene

Refernces

• 1、 Wang, Hui-Long,Qi, Hui-Ping,Wei, Xiao-Na,Liu, Xiao-Yu,Jiang, Wen-Feng. "Photocatalytic activity of TiO2 supported SiO2-Al2O3 aerogels prepared from industrial fly ash". . p. 2025 - 2033. Retrieved 2016/12/09.
• 2、 Spyroudis, Spyros,Varvoglis, Anastasios. "Synthesis and Reactivity of 2-Oxidodiaryliodonium Zwitterions". . p. 135 - 137. Retrieved 2007/10/02.