3-(2-Phenoxyethoxy)aniline

Base Information

• Chemical Name: 3-(2-Phenoxyethoxy)aniline
• CAS No.: 79808-16-5
• Molecular Formula: C14H15NO2
• Molecular Weight: 229.279
• Hs Code.: 2922299090
• European Community (EC) Number: 667-661-0
• DSSTox Substance ID: DTXSID20400543
• Mol file: 79808-16-5.mol

Synonyms:3-(2-phenoxyethoxy)aniline;79808-16-5;3-(2-phenoxyethoxy)phenylamine;SCHEMBL7739637;DTXSID20400543;MFCD00025238;STL066900;AKOS000319560;SB79937;NCGC00325757-01;CS-0326374;AB01320362-02;AN-329/43385731

Chemical Property of 3-(2-Phenoxyethoxy)aniline

Chemical Property:

• Vapor Pressure: 4.67E-07mmHg at 25°C
• Boiling Point: 413.8oC at 760 mmHg
• Flash Point: 225.3oC
• PSA: 44.48000
• Density: 1.142g/cm3
• LogP: 3.30780
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 229.110278721
• Heavy Atom Count: 17
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

3-(2-Phenoxyethoxy)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)N

Technology Process of 3-(2-Phenoxyethoxy)aniline

There total 7 articles about 3-(2-Phenoxyethoxy)aniline 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:

phenoxyethyl bromide (589-10-6) → 3-(2-phenoxyethoxy)-benzenamine (79808-16-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) sodium / 1.) ethanol, RT, 0.5 h, 2.) ethanol, reflux, 21 h

2: SnCl₂*2H₂O, concd. HCl / ethanol / Heating

With hydrogenchloride; sodium; tin(ll) chloride; In ethanol;

DOI:10.1021/jm00343a011

Reference yield:

m-Nitrophenyl-phenoxyethylether (17414-75-4) → 3-(2-phenoxyethoxy)-benzenamine (79808-16-5)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal;

DOI:10.1002/jps.2600560717

Reference yield:

phenol (108-95-2,27073-41-2) → 3-(2-phenoxyethoxy)-benzenamine (79808-16-5)

Guidance literature:

Multi-step reaction with 3 steps

1: base

2: 1.) sodium / 1.) ethanol, RT, 0.5 h, 2.) ethanol, reflux, 21 h

3: SnCl₂*2H₂O, concd. HCl / ethanol / Heating

With hydrogenchloride; sodium; tin(ll) chloride; In ethanol;

DOI:10.1021/jm00343a011

upstream raw materials:

m-Nitrophenyl-phenoxyethylether

phenoxyethyl bromide

phenol

meta-nitrophenol

Downstream raw materials:

1,1-Dimethyl-3-[3-(2-phenoxy-ethoxy)-phenyl]-urea

4-Hydroxy-7-(2-phenoxy-ethoxy)-quinoline-3-carboxylic acid ethyl ester

4-Hydroxy-7-(2-phenoxy-ethoxy)-quinoline-3-carboxylic acid

Cyclopropanecarboxylic acid [3-(2-phenoxy-ethoxy)-phenyl]-amide

Refernces

• 1、 Coats,Shah,Milstein,Genther,Nene,Roesener,Schmidt,Pleiss,Wagner,Baker. "4-Hydroxyquinoline-3-carboxylic acids as inhibitors of cell respiration. 2. Quantitative structure-activity relationship of dehydrogenase enzyme and Ehrlich ascites tumor cell inhibitions". . p. 57 - 63. Retrieved 2007/10/02.