N-(4-Methyl-3-nitrophenyl)acetamide

Base Information

• Chemical Name: N-(4-Methyl-3-nitrophenyl)acetamide
• CAS No.: 2719-14-4
• Molecular Formula: C9H10 N2 O3
• Molecular Weight: 194.19
• Hs Code.: 2921420090
• European Community (EC) Number: 220-319-0
• NSC Number: 202380,86673
• UNII: 5X6N2N3HDH
• DSSTox Substance ID: DTXSID50181656
• Nikkaji Number: J7.901D
• Wikidata: Q83052285
• ChEMBL ID: CHEMBL1709263
• Mol file: 2719-14-4.mol

Synonyms:2719-14-4;N-(4-Methyl-3-nitrophenyl)acetamide;4-Methyl-3-nitroacetanilide;4'-Methyl-3'-nitroacetanilide;Acetamide, N-(4-methyl-3-nitrophenyl)-;p-Acetotoluidide, 3'-nitro-;NSC 86673;3'-Nitro-p-acetotoluidide;4-acetamido-2-nitrotoluene;EINECS 220-319-0;NSC-86673;NSC 202380;NSC-202380;N-(4-Methyl-3-nitro-phenyl)-acetamide;Maybridge1_000209;2-Nitro-4-acetamidotoluene;5X6N2N3HDH;NCIOpen2_001189;Oprea1_832631;MLS000711721;SCHEMBL7600834;2-Nitro-4-(acetylamino)toluene;CHEMBL1709263;HMS542B11;DTXSID50181656;HMS2657E19;4-(N-Acetylamino)-2-nitrotoluene;NSC86673;MFCD00024277;N-{3-nitro-4-methylphenyl}acetamide;NSC202380;STL263638;AKOS000577988;CS-W010659;N-(4-Methyl-3-nitro-phenyl)acetamide;PS-5791;N-(4-Methyl -3-nitro-phenyl)acetamide;NCGC00245302-01;SMR000281488;FT-0671998;AE-641/01625051

Chemical Property of N-(4-Methyl-3-nitrophenyl)acetamide

Chemical Property:

• Vapor Pressure: 1.14E-05mmHg at 25°C
• Melting Point: 100-100.5°C
• Boiling Point: 370°Cat760mmHg
• PKA: 14.21±0.70(Predicted)
• Flash Point: 177.6°C
• PSA: 74.92000
• Density: 1.289g/cm³
• LogP: 2.45780
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• 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:

97% ^*data from raw suppliers

3-Methyl-4-nitro-N-acetylbenzeneamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-]
• Uses: 3-Methyl-4-nitro-N-acetylbenzeneamine (cas# 2719-14-4) is a compound useful in organic synthesis.

Technology Process of N-(4-Methyl-3-nitrophenyl)acetamide

There total 17 articles about N-(4-Methyl-3-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: 94.0%

acetic anhydride (108-24-7) + 4-Methyl-3-nitroanilin (119-32-4) → 4-acetylamino-2-nitrotoluene (2719-14-4)

Guidance literature:

at 20 ℃; for 2h;

Reference yield: 94.0%

4-Methylacetanilide (103-89-9) → 4-acetylamino-2-nitrotoluene (2719-14-4)

Guidance literature:

With sodium nitrate; sulfuric acid; at 0 - 5 ℃; for 3h;

Reference yield: 85.0%

C9H10N2O3 (452291-15-5) → 4-acetylamino-2-nitrotoluene (2719-14-4)

Guidance literature:

C₉H₁₀N₂O₃; With bis(trichloromethyl) carbonate; N,N-dimethyl-formamide; In acetonitrile; for 4h; Reflux;

With water; sodium hydrogencarbonate; In acetonitrile;

DOI:10.1080/00304940809458118

upstream raw materials:

4-N-acetylamino-2-amino-6-nitrotoluene

acetic anhydride

4-Methyl-3-nitroanilin

acetic acid

Downstream raw materials:

3-chloro-2-nitrotoluene

3-chloro-2-nitrobenzyl bromide

4-acetylamino-2-nitrobenzoic acid

C₂₁H₂₂N₄O₃