N-[(4-methylphenyl)methyl]acetamide

Base Information

• Chemical Name: N-[(4-methylphenyl)methyl]acetamide
• CAS No.: 25079-96-3
• Molecular Formula: C10H13 N O
• Molecular Weight: 163.219
• DSSTox Substance ID: DTXSID20179767
• Nikkaji Number: J579.819A
• Wikidata: Q83050292
• Mol file: 25079-96-3.mol

Synonyms:25079-96-3;N-[(4-methylphenyl)methyl]acetamide;N-(4-methylbenzyl)acetamide;N-((4-METHYLPHENYL)METHYL)ACETAMIDE;N-(p-methylbenzyl)acetamide;SCHEMBL171709;N-(4-methyl-benzyl)-acetamide;DTXSID20179767;VSKJCTSEACBXRC-UHFFFAOYSA-N;1-Hydroxy-2-pyridinethionesodium salt;AKOS003863288;GS-0457

Chemical Property of N-[(4-methylphenyl)methyl]acetamide

Chemical Property:

• Vapor Pressure: 5.5E-05mmHg at 25°C
• Boiling Point: 347.1°C at 760 mmHg
• Flash Point: 204.3°C
• PSA: 32.59000
• Density: 1.013g/cm³
• LogP: 2.47140
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

98%min ^*data from raw suppliers

N-[(4-METHYLPHENYL)METHYL]ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CNC(=O)C

Technology Process of N-[(4-methylphenyl)methyl]acetamide

There total 33 articles about N-[(4-methylphenyl)methyl]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: 99.0%

acetic anhydride (108-24-7) + para-methylbenzylamine (104-84-7) → N-(4-methylbenzyl)acetamide (25079-96-3)

Guidance literature:

With silica gel; for 0.0166667h; Microwave irradiation; neat (no solvent);

DOI:10.1080/10426507.2010.496277

Reference yield: 99.0%

ethyl acetate (141-78-6) + para-methylbenzylamine (104-84-7) → N-(4-methylbenzyl)acetamide (25079-96-3)

Guidance literature:

With acetic acid; at 80 ℃; for 20h; Reagent/catalyst; Time; Temperature; Sealed tube;

DOI:10.1039/c6cc09023k

Reference yield: 98.0%

2-acetyl-4,5-dichloropyridazin-3(2H)-one (155164-63-9) + para-methylbenzylamine (104-84-7) → N-(4-methylbenzyl)acetamide (25079-96-3)

Guidance literature:

In dichloromethane; at 17 ℃; for 0.0833333h;

DOI:10.1055/s-2002-25760

upstream raw materials:

acetic anhydride

para-methylbenzonitrile

acetyl chloride

para-methylbenzylamine

Downstream raw materials:

N-acetyl-4-methylbenzamide

p-Toluic acid

N-(4-methylbenzyl)ethylamine hydrochloride

2-(4-methylphenyl)-4(3H)-quinazolinone

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