N-(2-Methyl-4-nitrophenyl)acetamide

Base Information

• Chemical Name: N-(2-Methyl-4-nitrophenyl)acetamide
• CAS No.: 2719-15-5
• Molecular Formula: C9H10N2O3
• Molecular Weight: 194.19
• NSC Number: 29042
• DSSTox Substance ID: DTXSID8062606
• Nikkaji Number: J421.630J
• Wikidata: Q81990141
• Mol file: 2719-15-5.mol

Synonyms:N-(2-Methyl-4-nitrophenyl)acetamide;2719-15-5;2-Methyl-4-nitroacetanilide;N1-(2-Methyl-4-nitrophenyl)acetamide;Acetamide, N-(2-methyl-4-nitrophenyl)-;2'-Methyl-4'-nitroacetanilide;4'-Nitro-o-acetotoluidide;Acetyl-p-nitro-o-toluidine;o-Acetotoluidide, 4'-nitro-;NSC 29042;MFCD00033896;NSC29042;acetamide,n-(2-methyl-4-nitrophenyl)-;N-(2-Methyl-4-nitro-phenyl)-acetamide;Maybridge1_001434;Oprea1_155226;2-acetylamino-5-nitrotoluene;SCHEMBL1285405;DTXSID8062606;HMS545J04;4-acetamino-3-methyl-nitrobenzene;CHEBI:183346;2''-Methyl-4''-nitroacetanilide;4- Acetamino-3-methyl-nitrobenzene;NSC-29042;STK395662;AKOS002955974;2'-Methyl-4'-nitroacetanilide, 97%;AS-59157;CS-0314158;FT-0629656;J-523368

Chemical Property of N-(2-Methyl-4-nitrophenyl)acetamide

Chemical Property:

• Appearance/Colour: off-white solid
• Vapor Pressure: 2.15E-06mmHg at 25°C
• Melting Point: 198-200°C
• Refractive Index: 1.605
• Boiling Point: 393.3 °C at 760 mmHg
• Flash Point: 191.7 °C
• PSA: 74.92000
• Density: 1.289 g/cm³
• LogP: 2.45780
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 194.06914219
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-4-nitroacetanilide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C
• Uses: 2'-Methyl-4'-nitroacetanilide acts as the reactant in the synthesis of TNT isomers.

Technology Process of N-(2-Methyl-4-nitrophenyl)acetamide

There total 21 articles about N-(2-Methyl-4-nitrophenyl)acetamide 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: 81.0%

o-toluidine (95-53-4) → N-(2-methyl-6-nitrophenyl)acetamide (59907-22-1) + 2-methyl-4-nitroacetanilide (2719-15-5)

Guidance literature:

With nitric acid; acetic anhydride; In ice-water;

Reference yield: 46.0%

N-(2-methyl-6-nitrophenyl)acetamide (59907-22-1) → 2-Methyl-6-nitroaniline (570-24-1) + 2-methyl-4-nitroacetanilide (2719-15-5)

Guidance literature:

With hydrogenchloride;

Reference yield:

N-(2-methylphenyl)acetamide (120-66-1) → 2-Methyl-6-nitroaniline (570-24-1) + 2-methyl-4-nitroacetanilide (2719-15-5)

Guidance literature:

With nitric acid; acetic anhydride; acetic acid; at 15 - 20 ℃; ueber mehrere Stufen;

upstream raw materials:

N-(2-methylphenyl)acetamide

acetic anhydride

2-methyl-4-nitro-benzenamine

nitric acid

Downstream raw materials:

acetic acid-(2-methyl-4,6-dinitro-anilide)

N-(4-Amino-2-methyl-phenyl)-acetamide

5-nitro-N-acetylanthranilic acid

C₁₄H₁₈N₄O₅

Refernces

• 1、 -. "NOVEL IMIDAZO-PYRAZINE DERIVATIVES". Page/Page column 45; 87-88. . Retrieved 2021/12/31.
• 2、 Gli?i?, Biljana D.,Hoffmann, Marcin,Warzajtis, Beata,Gen?i?, Marija S.,Blagojevi?, Polina D.,Radulovi?, Niko S.,Rychlewska, Urszula,Djuran, Milo? I.. "Selectivity of the complexation reactions of four regioisomeric methylcamphorquinoxaline ligands with gold(III): X-ray, NMR and DFT investigations". . p. 137 - 149. Retrieved 2016/01/15.