N-(2,4-dimethyl-6-nitrophenyl)acetamide

Base Information

• Chemical Name: N-(2,4-dimethyl-6-nitrophenyl)acetamide
• CAS No.: 606-38-2
• Molecular Formula: C10H12N2O3
• Molecular Weight: 208.217
• Hs Code.: 2924299090
• NSC Number: 4159
• DSSTox Substance ID: DTXSID90277784
• Nikkaji Number: J1.603.322G
• Wikidata: Q82009178
• Mol file: 606-38-2.mol

Synonyms:4-Acetamido-5-nitro-m-xylene;606-38-2;N-(2,4-dimethyl-6-nitrophenyl)acetamide;Acetamide, N-(2,4-dimethyl-6-nitrophenyl)-;MFCD00157615;NSC4159;Cambridge id 5211945;Oprea1_425762;N-(2,4-DIMETHYL-6-NITRO-PHENYL)ACETAMIDE;SCHEMBL3635385;DTXSID90277784;2,4-Dimethyl-6-nitro acetanilide;STL068918;2',4'-Dimethyl-6'-nitroacetoanilide;AKOS000504279;SB76815;AS-31360;SY005893;FT-0731598;N-(2,4-dimethyl-6-nitro-phenyl)-acetamide;A913600;AE-641/02616023

Chemical Property of N-(2,4-dimethyl-6-nitrophenyl)acetamide

Chemical Property:

• Melting Point: 172 °C
• Boiling Point: 382.8 °C at 760 mmHg
• PKA: 13.85±0.70(Predicted)
• Flash Point: 185.3 °C
• PSA: 74.92000
• Density: 1.247 g/cm³
• LogP: 2.76620
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 208.08479225
• Heavy Atom Count: 15
• Complexity: 262

Purity/Quality:

98%min ^*data from raw suppliers

4-Acetamido-5-nitro-m-xylene ^*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-])NC(=O)C)C
• Uses: 4-Acetamido-5-nitro-m-xylene is a useful intermediate for organic synthesis.

Technology Process of N-(2,4-dimethyl-6-nitrophenyl)acetamide

There total 5 articles about N-(2,4-dimethyl-6-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: 69.0%

N-(2,4-dimethylphenyl)acetamide (2050-43-3) → N-(2,4-dimethyl-6-nitro-phenyl)-acetamide (606-38-2)

Guidance literature:

With dipotassium peroxodisulfate; sodium nitrite; In acetonitrile; at 120 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1080/00397911.2020.1752730

Reference yield:

N-(2,4-dimethylphenyl)acetamide (2050-43-3) → N-(2,4-dimethyl-6-nitro-phenyl)-acetamide (606-38-2) + N-(2.4-dimethyl-5-nitrophenyl)acetamide (62476-60-2)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield:

N-(2,4-dimethylphenyl)acetamide (2050-43-3) + nitric acid (7697-37-2,78989-43-2) → N-(2,4-dimethyl-6-nitro-phenyl)-acetamide (606-38-2) + N-(2.4-dimethyl-5-nitrophenyl)acetamide (62476-60-2)

Guidance literature:

beim Nitrieren;

upstream raw materials:

N-(2,4-dimethylphenyl)acetamide

nitric acid

Downstream raw materials:

2,4-dimethyl-5,6-dinitroacetanilide

2,4,6-trimethyl-1(3)H-benzimidazole

(2,4-dimethyl-6-nitro-phenyl)-propyl-amine

3,5-dimethyl-N-2-propyl-benzene-1,2-diamine

Refernces

• 1、 Kanetani, Fujio,Yamaguchi, Hachiro. "Studies of Reactions of Amines with Sulfur Trioxide. VI. Thermal Reactions of Anilinium, Dimethylanilinium, and Trimethylanilinium Salts of Butylamidosulfuric Acid". . p. 3048 - 3058. Retrieved 2007/10/02.