p-Toluanilide, 4'-nitro-

Base Information

• Chemical Name: p-Toluanilide, 4'-nitro-
• CAS No.: 33667-88-8
• Molecular Formula: C14H12N2O3
• Molecular Weight: 256.261
• European Community (EC) Number: 659-577-8
• NSC Number: 203139
• UNII: ETC7RCY3F9
• DSSTox Substance ID: DTXSID20187347
• Wikidata: Q83059021
• Mol file: 33667-88-8.mol

Synonyms:4-methyl-N-(4-nitrophenyl)benzamide;p-Toluanilide, 4'-nitro-;33667-88-8;4'-Nitro-p-toluanilide;Benzamide, 4-methyl-N-(4-nitrophenyl)-;N-(p-Nitrophenyl)-p-toluamide;p-Toluamide, N-(p-nitrophenyl)-;ETC7RCY3F9;NSC 203139;BRN 2137992;NSC-203139;4-12-00-01637 (Beilstein Handbook Reference);NSC203139;UNII-ETC7RCY3F9;Cambridge id 5367993;Oprea1_405987;SCHEMBL12406969;(4'-nitro)-4-methylbenzanilide;DTXSID20187347;AKOS000672778;AKOS015889605;LS-154011;E79419

Chemical Property of p-Toluanilide, 4'-nitro-

Chemical Property:

• Vapor Pressure: 3.43E-05mmHg at 25°C
• Boiling Point: 354.1°Cat760mmHg
• Flash Point: 167.9°C
• PSA: 74.92000
• Density: 1.304g/cm³
• LogP: 3.75170
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 256.08479225
• Heavy Atom Count: 19
• Complexity: 324

Purity/Quality:

99.5% ^*data from raw suppliers

4-METHYL-4'-NITROBENZANILIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of p-Toluanilide, 4'-nitro-

There total 17 articles about p-Toluanilide, 4'-nitro- 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: 95.0%

nitrobenzene (98-95-3,26969-40-4) + para-methylbenzamide (619-55-6) → 4-methyl-N-(4-nitrophenyl)-benzamide (33667-88-8) + trans-azoxybenzene (20972-43-4,21650-65-7,495-48-7,55599-32-1)

Guidance literature:

With tetramethyl ammoniumhydroxide; at 70 ℃; for 4h; under 40 Torr;

DOI:10.1021/jo00076a059

Reference yield: 90.0%

4-methyl-benzoyl chloride (874-60-2) + 4-nitro-aniline (100-01-6,104810-17-5) → 4-methyl-N-(4-nitrophenyl)-benzamide (33667-88-8)

Guidance literature:

In toluene; for 12h; Heating;

DOI:10.1021/jo00076a059

Reference yield: 88.9%

→ 4-methyl-N-(4-nitrophenyl)-benzamide (33667-88-8)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 20 ℃; for 2h; Cooling with ice; Inert atmosphere;

upstream raw materials:

para-chlorotoluene

4-nitro-aniline

4-methyl-benzoyl chloride

nitrobenzene

Downstream raw materials:

N-(4-aminophenyl)-4-methylbenzamide

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