2-Fluoro-4-methyl-5-nitroaniline

Base Information

• Chemical Name: 2-Fluoro-4-methyl-5-nitroaniline
• CAS No.: 259860-00-9
• Molecular Formula: C7H7FN2O2
• Molecular Weight: 170.143
• Hs Code.: 2921490093
• European Community (EC) Number: 860-418-1
• Mol file: 259860-00-9.mol

Synonyms:2-fluoro-4-methyl-5-nitroaniline;259860-00-9;2-Fluoro-4-methyl-5-nitro-aniline;MFCD15527685;4-Amino-5-fluoro-2-nitrotoluene;Benzenamine, 2-fluoro-4-methyl-5-nitro-;SCHEMBL3139080;OUNUNDAIKLDJAY-UHFFFAOYSA-N;AKOS022181494;AS-19971;SY103788;CS-0036870;EN300-123781;A856710;J-509417

Chemical Property of 2-Fluoro-4-methyl-5-nitroaniline

Chemical Property:

• PSA: 71.84000
• LogP: 2.72890
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 170.04915563
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

98% ^*data from raw suppliers

2-Fluoro-4-methyl-5-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Fluoro-4-methyl-5-nitroaniline

There total 2 articles about 2-Fluoro-4-methyl-5-nitroaniline 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-fluoro-4-methylaniline (452-80-2) → 2-fluoro-4-methyl-5-nitro-phenylamine (259860-00-9)

Guidance literature:

With sulfuric acid; nitric acid; at -10 ℃; for 3h; Cooling with ice;

Reference yield:

N-(2-fluoro-4-methylphenyl)acetamide (326-67-0) → 2-fluoro-4-methyl-6-nitroaniline (449774-77-0) + 2-fluoro-4-methyl-5-nitro-phenylamine (259860-00-9)

Guidance literature:

N-(2-fluoro-4-methylphenyl)acetamide; With nitric acid; at 0 ℃; for 2h;

With potassium hydroxide; In methanol;

DOI:10.1021/jo025884e

Reference yield: 91.0%

2-fluoro-4-methyl-5-nitro-phenylamine (259860-00-9) → 3-bromo-4-fluoro-6-methylnitrobenzene (224185-19-7)

Guidance literature:

2-fluoro-4-methyl-5-nitro-phenylamine; With hydrogen bromide; sodium nitrite; In water; at 0 - 5 ℃; for 0.25h;

With copper(I) oxide; hydrogen bromide; In water; at 0 ℃;

upstream raw materials:

N-(2-fluoro-4-methylphenyl)acetamide

2-fluoro-4-methylaniline

Downstream raw materials:

1-chloro-2-fluoro-4-methyl-5-nitrobenzene

1-fluoro-2-iodo-5-methyl-4-nitro-benzene

2-nitro-4-chloro-5-methoxymethylbenzene

5-chloro-4-methoxy-2-methylaniline

Refernces

• 1、 -. "CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS". Page/Page column 114; 118-119. . Retrieved 2018/10/19.
• 2、 Fischer, Stefan,Wentsch, Heike K.,Mayer-Wrangowski, Svenja C.,Zimmermann, Markus,Bauer, Silke M.,Storch, Kirsten,Niess, Raimund,Koeberle, Solveigh C.,Grütter, Christian,Boeckler, Frank M.,Rauh, Daniel,Laufer, Stefan A.. "Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity". supporting information. p. 241 - 253. Retrieved 2013/03/13.