1-Chloro-2-methoxy-4-methyl-5-nitrobenzene

Base Information

• Chemical Name: 1-Chloro-2-methoxy-4-methyl-5-nitrobenzene
• CAS No.: 62492-45-9
• Molecular Formula: C8H8ClNO3
• Molecular Weight: 201.609
• Hs Code.: 2909309090
• European Community (EC) Number: 817-209-5
• DSSTox Substance ID: DTXSID20477558
• Wikidata: Q82310336
• Mol file: 62492-45-9.mol

Synonyms:62492-45-9;1-Chloro-2-methoxy-4-methyl-5-nitrobenzene;2-CHLORO-5-METHYL-4-NITROANISOLE;Benzene, 1-chloro-2-methoxy-4-methyl-5-nitro-;SCHEMBL9732941;DTXSID20477558;MFCD14525739;AKOS015850064;BS-28983;EN300-207602;A868456

Chemical Property of 1-Chloro-2-methoxy-4-methyl-5-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.00168mmHg at 25°C
• Boiling Point: 303.4oC at 760 mmHg
• Flash Point: 137.3oC
• PSA: 55.05000
• Density: 1.313g/cm3
• LogP: 3.08840
• Storage Temp.: Room temperature.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 201.0192708
• Heavy Atom Count: 13
• Complexity: 194

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-5-methyl-4-nitroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])Cl)OC
• Uses: 2-Chloro-5-methyl-4-nitroanisole, is used as a reactant or a reagent in various stereoselective synthesis.

Technology Process of 1-Chloro-2-methoxy-4-methyl-5-nitrobenzene

There total 10 articles about 1-Chloro-2-methoxy-4-methyl-5-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: 80.0%

2-chloro-5-methyl-4-nitro-phenol (40130-97-0) + dimethyl sulfate (77-78-1) → 2-nitro-4-chloro-5-methoxymethylbenzene (62492-45-9)

Guidance literature:

With potassium carbonate; In ethanol;

Reference yield:

1-chloro-4-methyl-2,5-dinitro-benzene (866996-99-8) + ammonia (7664-41-7) → 2-chloro-5-methyl-4-nitro-phenol (40130-97-0) + 2-nitro-4-chloro-5-methoxymethylbenzene (62492-45-9) + 2-chloro-5-methyl-4-nitroaniline (70902-72-6)

Guidance literature:

at 160 ℃;

Reference yield:

2-chloro-5-methylphenol (615-74-7) → 2-nitro-4-chloro-5-methoxymethylbenzene (62492-45-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaNO₂, H₂SO₄, 2.) HNO₃ / 1.) acetic acid

2: 80 percent / K₂CO₃ / ethanol

With sulfuric acid; nitric acid; potassium carbonate; sodium nitrite; In ethanol;

upstream raw materials:

methanol

1-chloro-4-methyl-2,5-dinitro-benzene

1,2-dichloro-4-methyl-5-nitrobenzene

sodium methylate

Downstream raw materials:

2-chloro-5-<(β-dimethylamino)-vinyl>-4-nitroanisole

5-chloro-4-methoxy-2-methylaniline

C₁₃H₁₅ClN₂O₃

N-[2-(6-chloro-5-methoxy-indol-3-yl)-ethyl]-acetamide