2-{[(4-Ethylphenyl)amino]methyl}phenol

Base Information

• Chemical Name: 2-{[(4-Ethylphenyl)amino]methyl}phenol
• CAS No.: 90383-16-7
• Molecular Formula: C15H17NO
• Molecular Weight: 227.306
• European Community (EC) Number: 666-631-4
• DSSTox Substance ID: DTXSID60399301
• Nikkaji Number: J1.529.458B
• Wikidata: Q82201758

Synonyms:2-{[(4-ethylphenyl)amino]methyl}phenol;90383-16-7;2-(((4-Ethylphenyl)amino)methyl)phenol;2-[[(4-ethylphenyl)amino]methyl]phenol;2-[(4-ethylanilino)methyl]phenol;SCHEMBL6347332;DTXSID60399301;STK891689;AKOS000238182;ALPHA-(4-ETHYLANILINO)-O-CRESOL;BS-10760;CS-0358256

Chemical Property of 2-{[(4-Ethylphenyl)amino]methyl}phenol

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 227.131014166
• Heavy Atom Count: 17
• Complexity: 211

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)NCC2=CC=CC=C2O

Technology Process of 2-{[(4-Ethylphenyl)amino]methyl}phenol

There total 3 articles about 2-{[(4-Ethylphenyl)amino]methyl}phenol 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:

salicylaldehyde (90-02-8) + 4-aminoethylbenzene (589-16-2) → N-4-ethylphenyl-o-hydroxybenzylamine (90383-16-7)

Guidance literature:

salicylaldehyde; 4-aminoethylbenzene; With acetic acid; In acetonitrile; at 20 ℃; for 0.5h;

With sodium tetrahydroborate; In acetonitrile; at 20 ℃; for 2h;

DOI:10.1021/acs.orglett.7b03328

Reference yield:

2-{[(Z)-4-Ethyl-phenylimino]-methyl}-phenol → N-4-ethylphenyl-o-hydroxybenzylamine (90383-16-7) + 2-[(2S,3R)-3-(4-Ethyl-phenylamino)-2,3-dihydro-benzofuran-2-yl]-phenol

Guidance literature:

With ammonium chloride; zinc; In ethanol; water; at 80 - 90 ℃; for 16h;

DOI:10.1016/S0040-4039(01)00655-4

Reference yield:

C15H15NO2 → N-4-ethylphenyl-o-hydroxybenzylamine (90383-16-7) + 2-[(2S,3R)-3-(4-Ethyl-phenylamino)-2,3-dihydro-benzofuran-2-yl]-phenol

Guidance literature:

With ammonium chloride; zinc; In ethanol; water; at 80 - 90 ℃; for 16h;

DOI:10.1016/S0040-4039(01)00655-4

upstream raw materials:

salicylaldehyde

4-aminoethylbenzene

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