2-Methoxy-6-nitrophenol

Base Information

• Chemical Name: 2-Methoxy-6-nitrophenol
• CAS No.: 15969-08-1
• Molecular Formula: C7H7NO4
• Molecular Weight: 169.137
• Hs Code.: 2909500000
• European Community (EC) Number: 806-809-2
• UNII: 7ZLE25UH9W
• DSSTox Substance ID: DTXSID60449158
• Nikkaji Number: J801.857J
• Wikidata: Q27269076
• Mol file: 15969-08-1.mol

Synonyms:2-Methoxy-6-nitrophenol;15969-08-1;Phenol, 2-methoxy-6-nitro-;6-Nitroguaiacol;3-Nitro-2-hydroxyanisole;7ZLE25UH9W;nitroguaiacol;2-methoxy 6-nitrophenol;2-nitro-6-methoxyphenol;UNII-7ZLE25UH9W;SCHEMBL645594;DTXSID60449158;WRXFJKBQZVRPHI-UHFFFAOYSA-N;AMY38329;MFCD08693430;AKOS000277573;SS-4696;CS-0150323;FT-0715271;O10821;A883288;Q27269076

Chemical Property of 2-Methoxy-6-nitrophenol

Chemical Property:

• Melting Point: 62 °C (sublm)
• Boiling Point: 260.3±20.0 °C(Predicted)
• PKA: 7.09±0.24(Predicted)
• PSA: 75.28000
• Density: 1.367±0.06 g/cm3(Predicted)
• LogP: 1.83220
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 169.03750770
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

2-Methoxy-6-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1O)[N+](=O)[O-]

Technology Process of 2-Methoxy-6-nitrophenol

There total 16 articles about 2-Methoxy-6-nitrophenol 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: 68.0%

2-methoxy-phenol (90-05-1) → 2-methoxy-4-nitrophenol (3251-56-7) + 6-methoxy-2-nitrophenol (15969-08-1)

Guidance literature:

With ferric nitrate; 1,3-di-n-butyl-imidazolium tetrafluoroborate; at 30 ℃; for 1h;

DOI:10.1081/SCC-120016360

Reference yield: 30.0%

2-methoxy-phenol (90-05-1) → 2-methoxy-4-nitrophenol (3251-56-7) + 5-nitroguaiacol (636-93-1) + 2-methoxy-3-nitrophenol (20734-71-8) + 6-methoxy-2-nitrophenol (15969-08-1)

Guidance literature:

With ammonium cerium(IV) nitrate; In acetonitrile; at 10 - 12 ℃; for 10h; Further byproducts given;

Reference yield: 30.0%

2-methoxy-phenol (90-05-1) → 2-methoxy-4-nitrophenol (3251-56-7) + 5-nitroguaiacol (636-93-1) + 6-methoxy-2-nitrophenol (15969-08-1) + 4,4'-Dihydroxy-5,5'-dimethoxy-3,3'-dinitrodiphenyl (107112-04-9)

Guidance literature:

With ammonium cerium(IV) nitrate; In acetonitrile; at 10 - 12 ℃; for 10h; Further byproducts given;

upstream raw materials:

3-nitroanisole

acetic acid-(2-methoxy-6-nitro-anilide)

acetic acid

2-methoxy-phenol

Downstream raw materials:

3-nitroveratrole

1-iodo-2,3-dimethoxybenzene

2,3-dimethoxyaniline

(4-benzyloxy-3,5-dichlorophenyl)-[8-(tert-butyldimethylsilyloxy)-2,3-dihydrobenzo[1,4]oxazin-4-yl]-methanone

Refernces

• 1、 -. "LIPOXYGENASE INHIBITORS". Paragraph 00227; 00229. . Retrieved 2021/10/02.
• 2、 -. "Production Method of Nitrogen-Containing Fused Ring Compounds". Page/Page column 67. . Retrieved 2010/11/30.