Phenol, 2,2',2''-[nitrilotris(methylene)]tris[4,6-bis(1,1-dimethylethyl)-

Base Information

• Chemical Name: Phenol, 2,2',2''-[nitrilotris(methylene)]tris[4,6-bis(1,1-dimethylethyl)-
• CAS No.: 350484-86-5
• Molecular Formula: C45H69NO3
• Molecular Weight: 672.048
• DSSTox Substance ID: DTXSID20412626
• Nikkaji Number: J1.456.915D
• Wikidata: Q82220092
• Mol file: 350484-86-5.mol

Synonyms:350484-86-5;Phenol, 2,2',2''-[nitrilotris(methylene)]tris[4,6-bis(1,1-dimethylethyl)-;SCHEMBL16207718;DTXSID20412626;tris-(2-hydroxy-3,5-di-t-butylbenzyl)amine

Chemical Property of Phenol, 2,2',2''-[nitrilotris(methylene)]tris[4,6-bis(1,1-dimethylethyl)-

Chemical Property:

• XLogP3: 13.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 671.52774506
• Heavy Atom Count: 49
• Complexity: 907

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phenol, 2,2',2''-[nitrilotris(methylene)]tris[4,6-bis(1,1-dimethylethyl)-

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

2,4-di-tert-Butylphenol (96-76-4) + hexamethylenetetramine (100-97-0) → tris(4,6-di-tert-butyl-2-hydroxybenzyl)amine (350484-86-5)

Guidance literature:

With toluene-4-sulfonic acid; at 110 ℃; for 40h;

DOI:10.1021/acs.organomet.9b00845

Reference yield: 80.0%

tris(4,6-di-tert-butyl-2-hydroxybenzyl)amine (350484-86-5) + tetrabenzylzirconium(IV) (24356-01-2) + toluene (108-88-3,15644-74-3,16713-13-6) → 2,4-di-tert-Butylphenol (96-76-4) + C7H8*C52H67NO2Zr

Guidance literature:

at -30 - 25 ℃; for 24h; Solvent; Glovebox; Inert atmosphere;

DOI:10.1021/om500661y

Reference yield: 75.0%

tris(4,6-di-tert-butyl-2-hydroxybenzyl)amine (350484-86-5) + tetrabenzyl titanium (17520-19-3) → 2,4-di-tert-Butylphenol (96-76-4) + BnCH2N[2,4-tBu2C6H2(CH2)O]2TiBn2

Guidance literature:

In toluene; at -30 - 20 ℃; for 24h; Glovebox; Inert atmosphere;

DOI:10.1021/om500661y

upstream raw materials:

2,4-di-tert-Butylphenol

hexamethylenetetramine

Downstream raw materials:

(((C(CH₃)3)2(O)C₆H₂CH₂)3N)Ta(N(CH₃)2)2

((CH₃)2N)4TaOC₆H₂(C(CH₃)3)2CH₂(N((C(CH₃)3)2(O)C₆H₂CH₂)2)Ta(N(CH₃)2)3

N-(2-pyridylmethyl)-N,N-bis(2-hydroxy-3,5-di-tert-butylbenzyl)amine

[AlNa(tris(2-oxy-4,6-di-tert-butyl-benzyl)amine)(benzyloxy)(THF)2]