Phenol, 2,2',2''-[nitrilotris(methylene)]tris[6-(1,1-dimethylethyl)-

Base Information

• Chemical Name: Phenol, 2,2',2''-[nitrilotris(methylene)]tris[6-(1,1-dimethylethyl)-
• CAS No.: 882533-02-0
• Molecular Formula: C33H45NO3
• Molecular Weight: 503.725
• DSSTox Substance ID: DTXSID20467570
• Nikkaji Number: J2.294.358H
• Wikidata: Q82294575

Synonyms:Phenol, 2,2',2''-[nitrilotris(methylene)]tris[6-(1,1-dimethylethyl)-;882533-02-0;DTXSID20467570;tris-(2-hydroxy-3-t-butylbenzyl)amine

Chemical Property of Phenol, 2,2',2''-[nitrilotris(methylene)]tris[6-(1,1-dimethylethyl)-

Chemical Property:

• XLogP3: 8.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 503.33994430
• Heavy Atom Count: 37
• Complexity: 607

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=CC(=C1O)CN(CC2=C(C(=CC=C2)C(C)(C)C)O)CC3=C(C(=CC=C3)C(C)(C)C)O

Technology Process of Phenol, 2,2',2''-[nitrilotris(methylene)]tris[6-(1,1-dimethylethyl)-

There total 4 articles about Phenol, 2,2',2''-[nitrilotris(methylene)]tris[6-(1,1-dimethylethyl)- 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: 92.0%

tris-(2-benzyloxy-3-tert-butyl-benzyl)-amine (882533-08-6) → tris-(2-hydroxy-3-tert-butylbenzyl)aminetris-(2-hydroxy-3-tert-butylbenzyl)amine (882533-02-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 20 ℃; for 3.5h; under 760 Torr;

DOI:10.1016/j.tetlet.2006.02.091

Reference yield:

3-tert-butyl-2-hydroxybenzaldehyde (24623-65-2) → tris-(2-hydroxy-3-tert-butylbenzyl)aminetris-(2-hydroxy-3-tert-butylbenzyl)amine (882533-02-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / K₂CO₃ / acetonitrile / Heating

2: 75 percent / NaHB(OAc)3; ammonium acetate / tetrahydrofuran / 20 °C

3: 92 percent / H₂ / Pd/C / ethyl acetate / 3.5 h / 20 °C / 760 Torr

With ammonium acetate; hydrogen; sodium tris(acetoxy)borohydride; potassium carbonate; palladium on activated charcoal; In tetrahydrofuran; ethyl acetate; acetonitrile;

DOI:10.1016/j.tetlet.2006.02.091

Reference yield:

2-(benzyloxy)-3-tert-butylbenzaldehyde (882533-04-2) → tris-(2-hydroxy-3-tert-butylbenzyl)aminetris-(2-hydroxy-3-tert-butylbenzyl)amine (882533-02-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / NaHB(OAc)3; ammonium acetate / tetrahydrofuran / 20 °C

2: 92 percent / H₂ / Pd/C / ethyl acetate / 3.5 h / 20 °C / 760 Torr

With ammonium acetate; hydrogen; sodium tris(acetoxy)borohydride; palladium on activated charcoal; In tetrahydrofuran; ethyl acetate;

DOI:10.1016/j.tetlet.2006.02.091

upstream raw materials:

tris-(2-benzyloxy-3-tert-butyl-benzyl)-amine

3-tert-butyl-2-hydroxybenzaldehyde

2-(benzyloxy)-3-tert-butylbenzaldehyde

2-tert-Butylphenol

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