n-(2-Ethylphenyl)formamide

Base Information

• Chemical Name: n-(2-Ethylphenyl)formamide
• CAS No.: 2860-30-2
• Molecular Formula: C9H11 N O
• Molecular Weight: 149.192
• Hs Code.: 2924299090
• European Community (EC) Number: 666-935-7
• NSC Number: 53670
• DSSTox Substance ID: DTXSID80287953
• Nikkaji Number: J149.383C
• Wikidata: Q82024176
• Mol file: 2860-30-2.mol

Synonyms:n-(2-ethylphenyl)formamide;2860-30-2;2-Ethylformanilide;2-Ethylphenylformamide;2-Ethylphenylformamide #;SCHEMBL2243716;SCHEMBL11149107;DTXSID80287953;VKHKSOMMWYPNGI-UHFFFAOYSA-N;NSC53670;NSC-53670;AKOS006348522

Chemical Property of n-(2-Ethylphenyl)formamide

Chemical Property:

• Vapor Pressure: 0.000724mmHg at 25°C
• Melting Point: 70 °C
• Boiling Point: 307.5°Cat760mmHg
• PKA: 15.01±0.70(Predicted)
• Flash Point: 177.5°C
• PSA: 29.10000
• Density: 1.073g/cm³
• LogP: 2.52620
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

2'-ETHYLFORMANILIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC=C1NC=O

Technology Process of n-(2-Ethylphenyl)formamide

There total 6 articles about n-(2-Ethylphenyl)formamide 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%

ortho-ethylaniline (578-54-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → N-(2-ethylphenyl)formamide (2860-30-2)

Guidance literature:

With potassium tert-butylate; at 25 ℃; for 2h; Inert atmosphere;

DOI:10.1002/ejoc.201900666

Reference yield: 88.0%

formic acid (64-18-6) + ortho-ethylaniline (578-54-1) → N-(2-ethylphenyl)formamide (2860-30-2)

Guidance literature:

With choline chloride*2SnCl₂; at 70 ℃;

DOI:10.1016/j.crci.2012.06.011

Reference yield: 78.0%

ortho-ethylaniline (578-54-1) + carbon dioxide (124-38-9,18923-20-1) → N-(2-ethylphenyl)formamide (2860-30-2)

Guidance literature:

With sodium (phenyltrihydroxyborate); phenylsilane; In diethylene glycol dimethyl ether; at 100 ℃; for 12h; under 1875.19 Torr; Sealed tube; Glovebox; Autoclave;

DOI:10.1039/d0gc01741h

upstream raw materials:

formic acid

ortho-ethylaniline

orthoformic acid triethyl ester

trimethyl orthoformate

Downstream raw materials:

3-Methylindole

N-methyl-2-ethylphenylamine

acetic acid-(2-ethyl-N-methyl-anilide)

2-Aethyl-N-formyl-anilin-natrium

Refernces

• 1、 Shahebrahimi, Shabnam,Rafiee, Ezzat,Sadrjavadi, Komail. "Mesostructure organic-inorganic hybrid ionic liquids based on heteropoly acids: Effect of linkage on the molecular structure and catalytic activity". . . Retrieved 2019/08/30.
• 2、 Ghosh, Tridev,Jana, Snehasish,Dash, Jyotirmayee. "KOtBu-Promoted Transition-Metal-Free Transamidation of Primary and Tertiary Amides with Amines". supporting information. p. 6690 - 6694. Retrieved 2019/09/12.