2-Ethylaniline

Base Information

• Chemical Name: 2-Ethylaniline
• CAS No.: 578-54-1
• Molecular Formula: C8H11N
• Molecular Weight: 121.182
• Hs Code.: 29214980
• European Community (EC) Number: 209-424-2
• NSC Number: 62014
• UN Number: 2273
• UNII: GR557N47K6
• DSSTox Substance ID: DTXSID0042242
• Nikkaji Number: J28.429G
• Wikidata: Q16322539
• ChEMBL ID: CHEMBL3185556
• Mol file: 578-54-1.mol

Synonyms:2-ethylaniline

Chemical Property of 2-Ethylaniline

Chemical Property:

• Appearance/Colour: clear yellow to red-brownish liquid
• Vapor Pressure: 0.11 mm Hg ( 20 °C)
• Melting Point: -44 °C
• Refractive Index: n20/D 1.559(lit.)
• Boiling Point: 212.3 °C at 760 mmHg
• PKA: pK1:4.42(+1) (25°C)
• Flash Point: 87.9 °C
• PSA: 26.02000
• Density: 0.973 g/cm³
• LogP: 2.41240
• Storage Temp.: −20°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: insoluble
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.089149355
• Heavy Atom Count: 9
• Complexity: 80.6
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Oleylethanolamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 36/37/38-33-23/24/25
• Safety Statements: 36/37/39-45-36/37-28A

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: CCC1=CC=CC=C1N
• Uses: Intermediate for pharmaceuticals, dyestuffs, pesticides, and other products. 2-?Ethylaniline is a reagent in the synthesis of bromoanthraquinones with different substituents producing novel dyes. Also used in the optimization of phoephoinositide 3-kinase inhibitor which is used in the synthesis.

Technology Process of 2-Ethylaniline

There total 67 articles about 2-Ethylaniline 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: 99.6%

2-nitro(ethylbenzene) (612-22-6) → ortho-ethylaniline (578-54-1)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 1h; under 750.075 Torr; chemoselective reaction;

DOI:10.1002/adsc.201000945

Reference yield: 90.0%

1-azido-2-ethylbenzene (35774-47-1) → ortho-ethylaniline (578-54-1)

Guidance literature:

With iron; In water; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2017.07.076

Reference yield: 84.0%

2-nitro(ethylbenzene) (612-22-6) → ortho-ethylaniline (578-54-1) + Bis(2-ethylphenyl)diazene 1-oxide (64287-80-5)

Guidance literature:

With ammonium chloride; zinc; In water; at 80 ℃; for 24h; Catalytic behavior; Inert atmosphere;

upstream raw materials:

indole

1-indoline

2-nitro(ethylbenzene)

diethyl sulphite

Downstream raw materials:

2-ethyl-6-isopropylaniline

N,2-diethylbenzenamine

(2-ethyl-phenyl)-carbamic acid-(2-fluoro-ethyl ester)

2-acetamido-1-ethylbenzene

Refernces

• 1、 -. "Preparation method of pazopanib intermediate". Paragraph 0185-0189. . Retrieved 2021/03/24.
• 2、 Zubar, Viktoriia,Dewanji, Abhishek,Rueping, Magnus. "Chemoselective Hydrogenation of Nitroarenes Using an Air-Stable Base-Metal Catalyst". supporting information. p. 2742 - 2747. Retrieved 2021/05/05.