Benzamide, N-(p-methylphenethyl)-

Base Information

• Chemical Name: Benzamide, N-(p-methylphenethyl)-
• CAS No.: 3278-15-7
• Molecular Formula: C16H17NO
• Molecular Weight: 239.317
• DSSTox Substance ID: DTXSID50186444
• Nikkaji Number: J492.700A
• Wikidata: Q83057733
• Mol file: 3278-15-7.mol

Synonyms:N-(p-Methylphenethyl)benzamide;Benzamide, N-(p-methylphenethyl)-;N-[2-(4-methylphenyl)ethyl]benzamide;3278-15-7;SCHEMBL5969191;DTXSID50186444;N-[2-(4-Methylphenyl)ethyl]benzenecarboxamide

Chemical Property of Benzamide, N-(p-methylphenethyl)-

Chemical Property:

• Vapor Pressure: 2.55E-08mmHg at 25°C
• Melting Point: 95-96 °C(Solv: benzene (71-43-2))
• Boiling Point: 450.9°C at 760 mmHg
• PKA: 14.67±0.46(Predicted)
• Flash Point: 272.5°C
• PSA: 32.59000
• Density: 1.071g/cm³
• LogP: 3.54230
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 239.131014166
• Heavy Atom Count: 18
• Complexity: 250

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2

Technology Process of Benzamide, N-(p-methylphenethyl)-

There total 4 articles about Benzamide, N-(p-methylphenethyl)- 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: 86.0%

p-nitrophenylbenzoate (959-22-8) + 2-(p-tolyl)ethylamine (3261-62-9) → N-(4-methylphenethyl)benzamide (3278-15-7)

Guidance literature:

p-nitrophenylbenzoate; With 1,3-dimethylimidazolim iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; for 0.333333h; Schlenk technique;

2-(p-tolyl)ethylamine; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1055/s-0037-1610355

Reference yield: 81.0%

2-(p-tolyl)ethylamine (3261-62-9) + benzoyl chloride (98-88-4) → N-(4-methylphenethyl)benzamide (3278-15-7)

Guidance literature:

With sodium hydroxide; In dichloromethane; water; at 0 ℃; for 0.166667h;

DOI:10.1039/d0ob02096f

Reference yield: 72.0%

1-ethenyl-4-methylbenzene (622-97-9,24936-41-2) + benzamide (55-21-0,27208-38-4) → N-(4-methylphenethyl)benzamide (3278-15-7)

Guidance literature:

With dimethyl sulfoxide; potassium hydroxide; at 120 ℃; for 24h;

DOI:10.1021/acs.orglett.0c04084

upstream raw materials:

N-(2-chloro-ethyl)-benzamide

toluene

p-nitrophenylbenzoate

2-(p-tolyl)ethylamine

Downstream raw materials:

1t,5t-bis-(1-phenyl-[7]isoquinolyl)-penta-1,4-dien-3-one

2-nitro-1-(1-phenyl-[7]isoquinolyl)-ethanol

3t-(1-phenyl-[7]isoquinolyl)-acrylic acid

1-phenyl-isoquinoline-7-carbaldehyde