2,5-DIMETHYL-4-NITROANILINE

Base Information

• Chemical Name: 2,5-DIMETHYL-4-NITROANILINE
• CAS No.: 3139-05-7
• Molecular Formula: C8H9 N O3
• Molecular Weight: 167.164
• Hs Code.: 2908999090
• NSC Number: 135201
• DSSTox Substance ID: DTXSID40300177
• Wikidata: Q72471010
• Mol file: 3139-05-7.mol

Synonyms:2,5-Xylenol,4-nitro- (7CI,8CI); 2,5-Dimethyl-4-nitrophenol; 4-Nitro-2,5-xylenol; NSC 135201

Chemical Property of 2,5-DIMETHYL-4-NITROANILINE

Chemical Property:

• Vapor Pressure: 0.000226mmHg at 25°C
• Melting Point: 134-136
• Boiling Point: 342.5°Cat760mmHg
• PKA: 7.70±0.24(Predicted)
• Flash Point: 160.9°C
• PSA: 71.84000
• Density: 1.22g/cm³
• LogP: 2.89820
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

98%min ^*data from raw suppliers

2,5-Dimethyl-4-nitrophenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1O)C)[N+](=O)[O-]

Technology Process of 2,5-DIMETHYL-4-NITROANILINE

There total 11 articles about 2,5-DIMETHYL-4-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: 87.0%

2,5-Dimethylphenol (95-87-4) → 4-nitro-2,5-xylenol (3139-05-7)

Guidance literature:

With nitric acid; sodium dodecyl-sulfate; In water; at 25 ℃; for 0.333333h; regioselective reaction; Micellar solution; Green chemistry;

DOI:10.1039/c3ra40185e

Reference yield:

2,5-Dimethylphenol (95-87-4) + nitric acid (7697-37-2,78989-43-2) + acetic acid (64-19-7,77671-22-8) → 2,5-dimethyl-6-nitrophenol (71608-10-1) + 2,5-Dimethyl-1,4-benzoquinone (137-18-8) + 4-nitro-2,5-xylenol (3139-05-7)

Guidance literature:

Reference yield:

4-Nitroso-2,5-xylenol (20294-63-7) → 4-nitro-2,5-xylenol (3139-05-7)

Guidance literature:

With nitric acid; In water; at 45 ℃; for 0.25h;

DOI:10.1002/jlac.198519850711

upstream raw materials:

2,5-Dimethylphenol

2,5-dimethyl-p-benzoquinone 4-oxime

1-methoxy-2,5-dimethyl-4-nitrobenzene

4-Nitroso-2,5-xylenol

Downstream raw materials:

1-methoxy-2,5-dimethyl-4-nitrobenzene

2,5-dimethyl-4-amino phenol

5-(2,5-dimethyl-4-nitrophenoxy)-2,2-dimethylpentanoic acid, methyl ester

Refernces

• 1、 Dey, Jahar,Saha, Mithu,Pal, Amarta Kumar,Ismail, Kochi. "Regioselective nitration of aromatic compounds in an aqueous sodium dodecylsulfate and nitric acid medium". . p. 18609 - 18613. Retrieved 2013/10/21.
• 2、 -. "4-amino substituted phenoxyalkyl carboxylic acid, ester, and alcohol derivatives as antihypercholesterolemic and antiatherosclerotic agents". . . Retrieved 2008/06/13.