2-Methoxy-1,3-dimethyl-4-nitrobenzene

Base Information

• Chemical Name: 2-Methoxy-1,3-dimethyl-4-nitrobenzene
• CAS No.: 50536-74-8
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.191
• DSSTox Substance ID: DTXSID20543025
• Nikkaji Number: J1.398.948F
• Wikidata: Q82419849
• Mol file: 50536-74-8.mol

Synonyms:2-methoxy-1,3-dimethyl-4-nitrobenzene;50536-74-8;2,6-dimethyl-3-nitroanisole;SCHEMBL6275780;SCHEMBL8300141;DTXSID20543025;YYYBGZOTNZNBRB-UHFFFAOYSA-N;AKOS006238095;EN300-182279;F70594

Chemical Property of 2-Methoxy-1,3-dimethyl-4-nitrobenzene

Chemical Property:

• 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: 190

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)[N+](=O)[O-])C)OC

Technology Process of 2-Methoxy-1,3-dimethyl-4-nitrobenzene

There total 5 articles about 2-Methoxy-1,3-dimethyl-4-nitrobenzene 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%

2,6-dimethyl-3-nitro-phenol (6994-63-4) + methyl iodide (74-88-4) → 2,6-dimethyl-3-nitroanisole (50536-74-8)

Guidance literature:

With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 18 - 50 ℃; for 2h;

Reference yield: 76.0%

2,6-dimethyl-3-nitro-phenol (6994-63-4) + dimethyl sulfate (77-78-1) → 2,6-dimethyl-3-nitroanisole (50536-74-8)

Guidance literature:

With potassium carbonate; In acetone; Heating;

DOI:10.1016/S0040-4020(00)00745-6

Reference yield:

2,6-dimethyl-3-nitroaniline (67083-28-7) → 2,6-dimethyl-3-nitroanisole (50536-74-8)

Guidance literature:

Multi-step reaction with 2 steps

2: 76 percent / K₂CO₃ / acetone / Heating

With potassium carbonate; In acetone; 1: Substitution / 2: Methylation;

DOI:10.1016/S0040-4020(00)00745-6

upstream raw materials:

2-methoxy-1,3-dimethylbenzene

2,6-dimethyl-3-nitro-phenol

dimethyl sulfate

2,6-dimethyl-3-nitroaniline

Downstream raw materials:

4-methoxy-5-methylindole

4-methoxy-5-methylindoline

C₉H₁₃NO