4-Ethylbenzamide

Base Information

• Chemical Name: 4-Ethylbenzamide
• CAS No.: 33695-58-8
• Molecular Formula: C9H11NO
• Molecular Weight: 149.192
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90427267
• Nikkaji Number: J578.833A
• Wikidata: Q82239962
• Mol file: 33695-58-8.mol

Synonyms:4-ethylbenzamide;33695-58-8;4-Aethylbenzamid;MFCD00017616;SCHEMBL178439;DTXSID90427267;AKOS008937774;BS-3825;CS-0318058;FT-0618400;A821906;W-202381

Chemical Property of 4-Ethylbenzamide

Chemical Property:

• Vapor Pressure: 0.0037mmHg at 25°C
• Melting Point: 164-165°C
• Refractive Index: 1.547
• Boiling Point: 280.8 °C at 760 mmHg
• PKA: 16.19±0.50(Predicted)
• Flash Point: 123.6 °C
• PSA: 43.09000
• Density: 1.058g/cm³
• LogP: 2.04820
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

4-Ethylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38-36
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Ethylbenzamide

There total 10 articles about 4-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: 99.0%

4-ethylbenzaldehyde oxime → 4-ethylbenzamide (33695-58-8)

Guidance literature:

With C₅₅H₄₅ClN₅P₂Ru⁽¹⁺⁾*Cl^(1-); In water; at 110 ℃; for 12h; Sealed tube;

DOI:10.1039/c6ra07515k

Reference yield: 95.0%

formic acid (64-18-6) + 4-ethyl-1-iodobenzene (25309-64-2) → 4-ethylbenzamide (33695-58-8)

Guidance literature:

With palladium diacetate; ammonium bicarbonate; dicyclohexyl-carbodiimide; triphenylphosphine; In acetonitrile; at 100 ℃; Inert atmosphere;

DOI:10.1002/ejoc.201701105

Reference yield: 95.0%

→ 4-ethylbenzamide (33695-58-8)

Guidance literature:

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

upstream raw materials:

p-ethylbenzoyl chloride

trimethylsilyl isocyanate

ethylbenzene

p-ethylbenzoic acid

Refernces

• 1、 -. "Method for preparing derivatives of benzamide under microwave condition in aqueous phase". Paragraph 0018; 0086. . Retrieved 2019/03/28.
• 2、 Yang, Fa-Liu,Zhu, Xinju,Rao, Dun-Kang,Cao, Xiao-Niu,Li, Ke,Xu, Yan,Hao, Xin-Qi,Song, Mao-Ping. "Highly efficient synthesis of primary amides: Via aldoximes rearrangement in water under air atmosphere catalyzed by an ionic ruthenium pincer complex". . p. 37093 - 37098. Retrieved 2016/05/24.