2,6-Dimethyl-4-nitroanisole

Base Information

• Chemical Name: 2,6-Dimethyl-4-nitroanisole
• CAS No.: 14804-39-8
• Molecular Formula: C9H11 N O3
• Molecular Weight: 181.191
• Hs Code.: 2909309090
• European Community (EC) Number: 642-652-4
• DSSTox Substance ID: DTXSID70163873
• Nikkaji Number: J485.971E
• Wikidata: Q83032859
• Mol file: 14804-39-8.mol

Synonyms:2,6-Dimethyl-4-nitroanisole;14804-39-8;2-methoxy-1,3-dimethyl-5-nitrobenzene;m-Xylene, 2-methoxy-5-nitro-;Benzene, 2-methoxy-1,3-dimethyl-5-nitro-;m-Xylene, 2-methoxy-5-nitro-,;MFCD00024537;SCHEMBL654449;2,6-dimethyl-4-nitro-anisole;DTXSID70163873;4-methoxy-3,5-dimethylnitrobenzene;AKOS003368398;2,6-dimethyl-1-methoxy-4-nitrobenzene;2,6-Dimethyl-4-nitrophenyl methyl ether;2-methoxy-1,3-di-methyl-5-nitrobenzene;AS-43961;CS-0153726;FT-0691480

Chemical Property of 2,6-Dimethyl-4-nitroanisole

Chemical Property:

• Vapor Pressure: 0.0021mmHg at 25°C
• Melting Point: 85-89°C
• Boiling Point: 299.6°Cat760mmHg
• Flash Point: 138.7°C
• PSA: 55.05000
• Density: 1.148g/cm³
• LogP: 2.74340
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

98% ^*data from raw suppliers

2-Methoxy-1,3-dimethyl-5-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1OC)C)[N+](=O)[O-]

Technology Process of 2,6-Dimethyl-4-nitroanisole

There total 15 articles about 2,6-Dimethyl-4-nitroanisole 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: 97.0%

5-(tert-butyl)-2-methoxy-1,3-dimethylbenzene (92100-74-8) → 2,6-dimethyl-4-nitroanisole (14804-39-8)

Guidance literature:

With nitric acid; acetic acid; In dichloromethane; for 0.5h; Ambient temperature;

DOI:10.1021/jo970192p

Reference yield: 96.0%

2,6-dimethyl-4-nitro phenol (2423-71-4) + methyl iodide (74-88-4) → 2,6-dimethyl-4-nitroanisole (14804-39-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 72h;

DOI:10.1016/j.bmcl.2017.05.080

Reference yield: 68.0%

2-methoxy-1,3-dimethylbenzene (1004-66-6) → 2,6-dimethyl-4-nitroanisole (14804-39-8)

Guidance literature:

With sulfuric acid; nitric acid; acetic acid; at 0 - 20 ℃; for 3h;

DOI:10.1021/acs.orglett.8b00553

upstream raw materials:

2-methoxy-1,3-dimethylbenzene

5-bromo-2-methoxy-1,3-dimethylbenzene

2,6-dimethyl-4-nitro phenol

dimethyl sulfate

Downstream raw materials:

2,6-dimethyl-4-nitro phenol

4-amino-2,6-dimethylanisole

4-acetamido-2,6-dimethyl-5-iodoanisole

4-acetamido-2,6-dimethyl-5-iodo-3-nitroanisole