2-Methyl-4-nitroanisole

Base Information

• Chemical Name: 2-Methyl-4-nitroanisole
• CAS No.: 50741-92-9
• Molecular Formula: C8H9NO3
• Molecular Weight: 167.164
• Hs Code.: 2909309090
• European Community (EC) Number: 256-748-5
• DSSTox Substance ID: DTXSID70198786
• Nikkaji Number: J154.676G
• Wikidata: Q83071614
• Mol file: 50741-92-9.mol

Synonyms:2-Methyl-4-nitroanisole;50741-92-9;1-methoxy-2-methyl-4-nitrobenzene;benzene, 1-methoxy-2-methyl-4-nitro-;EINECS 256-748-5;MFCD07787583;1-Methoxy-2-methyl-4-nitro-benzene;3-Methyl-4-methoxynitrobenzene;2-Methoxy-5-nitrotoluene;2-methyl-4-nitro-anisole;SCHEMBL187136;2-Methyl-4-nitroanisole, 97%;DTXSID70198786;1-methoxy-2-methyl-4-nitrobezene;CL8595;AKOS015851905;2-METHYL-4-NITROANISOLE 97;AC-7194;AM84120;CS-W017843;DS-17656;SY004821;FT-0672000;10.14272/QOZMIJZYJZQOBV-UHFFFAOYSA-N;EN300-200391;A841826;AN-584/43492793;doi:10.14272/QOZMIJZYJZQOBV-UHFFFAOYSA-N;2-Methyl-4-nitrophenol

Chemical Property of 2-Methyl-4-nitroanisole

Chemical Property:

• Appearance/Colour: Off-white solid
• Melting Point: 61-64 °C(lit.)
• Boiling Point: 283 °C at 760 mmHg
• Flash Point: 136.7 °C
• PSA: 55.05000
• Density: 1.18 g/cm³
• LogP: 2.43500
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-4-nitroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])OC
• Uses: 2-Methyl-4-nitroanisole may be used in the synthesis of 2-methyl-4-nitrophenol and 3-methyl-4-methoxyaniline.

Technology Process of 2-Methyl-4-nitroanisole

There total 26 articles about 2-Methyl-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: 96.0%

2-methyl-4-nitrophenol (99-53-6) + dimethyl sulfate (77-78-1) → 2-methyl-4-nitroanisole (50741-92-9)

Guidance literature:

With potassium carbonate; sodium hydroxide; In acetone; at 40 ℃; for 23h; Inert atmosphere;

DOI:10.1002/anie.201701895

Reference yield: 93.0%

methanol (67-56-1) + 5-nitro-2-fluorotoluene (455-88-9) → 2-methyl-4-nitroanisole (50741-92-9)

Guidance literature:

methanol; With N-benzyl-trimethylammonium hydroxide; for 0.166667h; Neat (no solvent);

5-nitro-2-fluorotoluene; at 20 ℃; for 0.25h; Neat (no solvent);

DOI:10.1080/00397910903219518

Reference yield: 93.0%

methanol (67-56-1) + 1-chloro-2-methyl-4-nitrobenzene (13290-74-9) → 2-methyl-4-nitroanisole (50741-92-9)

Guidance literature:

methanol; With N-benzyl-trimethylammonium hydroxide; for 0.166667h; Neat (no solvent);

1-chloro-2-methyl-4-nitrobenzene; at 20 ℃; for 0.25h; Neat (no solvent);

DOI:10.1080/00397910903219518

upstream raw materials:

2-methylmethoxybenzene

1-chloro-2-methyl-4-nitrobenzene

sodium methylate

2-methoxy-3-methyl-5-nitro-aniline

Downstream raw materials:

2-methyl-4-nitrophenol

2-methyl-4,6-dinitroanisole

4-methoxy-3-methylaniline

4-hydroxy-2-methylanisole

Refernces

• 1、 Gu, Qiang-Shuai,Yang, Dan. "Enantioselective Synthesis of (+)-Mitomycin K by a Palladium-Catalyzed Oxidative Tandem Cyclization". supporting information. p. 5886 - 5889. Retrieved 2017/05/12.
• 2、 -. "(AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES". Page/Page column 27. . Retrieved 2009/12/27.