3-Ethylbenzamide

Base Information

• Chemical Name: 3-Ethylbenzamide
• CAS No.: 500293-87-8
• Molecular Formula: C₉H₁₁NO
• Molecular Weight: 149.192
• Hs Code.: 2924299090
• NSC Number: 86575
• DSSTox Substance ID: DTXSID70292955
• Wikidata: Q82031476
• Mol file: 500293-87-8.mol

Synonyms:3-ethylbenzamide;500293-87-8;NSC86575;NCIOpen2_001183;SCHEMBL45866;DTXSID70292955;NSC-86575;AKOS006359879

Chemical Property of 3-Ethylbenzamide

Chemical Property:

• PSA: 44.08000
• LogP: 2.23210
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=CC=C1)C(=O)N

Technology Process of 3-Ethylbenzamide

There total 3 articles about 3-Ethylbenzamide 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%

→ 3-ethylbenzamide (500293-87-8)

Guidance literature:

With tetrabutylammomium bromide; ammonia; caesium carbonate; In water; for 0.333333h; Microwave irradiation;

Reference yield:

m-ethylbenzonitrile (34136-57-7) → 3-ethylbenzamide (500293-87-8)

Guidance literature:

With sulfuric acid;

Reference yield:

benzonitrile (100-47-0) → 3-ethylbenzamide (500293-87-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminium chloride / 185 °C

2: sulfuric acid

With aluminium trichloride; sulfuric acid;

upstream raw materials:

m-ethylbenzonitrile

benzonitrile

Downstream raw materials:

m-ethylbenzoic acid

Refernces