3-(Ethyl-phenyl-amino)propylazanium

Base Information

• Chemical Name: 3-(Ethyl-phenyl-amino)propylazanium
• CAS No.: 53606-48-7
• Molecular Formula: C11H19N2+
• Molecular Weight: 178.277
• Hs Code.: 2921590090
• DSSTox Substance ID: DTXSID00427051
• Wikidata: Q82239804
• Mol file: 53606-48-7.mol

Synonyms:3-(ethyl-phenyl-amino)propylazanium;3-(N-ethylanilino)propylazanium;ZINC02556274;DTXSID00427051

Chemical Property of 3-(Ethyl-phenyl-amino)propylazanium

Chemical Property:

• Vapor Pressure: 0.00308mmHg at 25°C
• Boiling Point: 283.9°Cat760mmHg
• Flash Point: 114.5°C
• PSA: 30.88000
• Density: 0.986g/cm³
• LogP: 1.14490
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 179.154823615
• Heavy Atom Count: 13
• Complexity: 119

Purity/Quality:

98%min ^*data from raw suppliers

N*1*-Ethyl-N*1*-phenyl-propane-1,3-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CCC[NH3+])C1=CC=CC=C1
• Uses: N-(γ-Aminopropyl)-N-ethylaniline can be used to form dye composition and detect hydrogen peroxide.

Technology Process of 3-(Ethyl-phenyl-amino)propylazanium

There total 2 articles about 3-(Ethyl-phenyl-amino)propylazanium 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: 91.0%

N-ethyl-N-(2-cyanoethyl)aniline (148-87-8) → N-(3-aminopropyl)-N-ethylaniline (53606-48-7)

Guidance literature:

With ammonia; hydrogen; In toluene; at 120 ℃; for 16h; under 22502.3 Torr; Autoclave;

DOI:10.1039/c8sc02807a

Reference yield: 70.0%

3-bromopropylamine hydrochloride (5003-71-4) + N-ethyl-N-phenylamine (103-69-5) → N-(3-aminopropyl)-N-ethylaniline (53606-48-7)

Guidance literature:

3-bromopropylamine hydrochloride; N-ethyl-N-phenylamine; With sodium hydrogencarbonate; In water; at 95 ℃; for 3.75h; Reflux;

With potassium hydroxide; In water;

DOI:10.1007/s11172-016-1570-1

Reference yield:

N-[4-(8-ethoxy-2-oxo-2H-chromen-3-yl)-thiazol-2-yl]-4-imidazol-1-yl-4-oxo-butyramide + N-(3-aminopropyl)-N-ethylaniline (53606-48-7) → N-[4-(8-ethoxy-2-oxo-2H-chromen-3-yl)-thiazol-2-yl]-N'-[3-(ethyl-phenyl-amino)-propyl]-succinamide

Guidance literature:

In 1,4-dioxane; at 80 ℃; for 12h;

DOI:10.3390/10020444

upstream raw materials:

N-ethyl-N-(2-cyanoethyl)aniline

3-bromopropylamine hydrochloride

N-ethyl-N-phenylamine

Downstream raw materials:

N-[3-(N-ethyl-anilino)-propyl]-glycolamide

Refernces

• 1、 Vasilyeva,Vorobyeva,Osipov. "Salts of 2- or 3-haloalkylamines in the synthesis of N-aminoalkyl derivatives of heterocyclic and aromatic amines". . p. 2211 - 2215. Retrieved 2017/05/12.