Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[(2-hydroxyphenyl)imino]methyl]-

Base Information

• Chemical Name: Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[(2-hydroxyphenyl)imino]methyl]-
• CAS No.: 319482-73-0
• Molecular Formula: C21H27NO2
• Molecular Weight: 325.451
• DSSTox Substance ID: DTXSID30425262
• Nikkaji Number: J1.414.932E,J3.447.137A
• Mol file: 319482-73-0.mol

Synonyms:319482-73-0;Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[(2-hydroxyphenyl)imino]methyl]-;Oprea1_575717;DTXSID30425262;N-(2-hydroxyphenyl)-3,5-di-t-butylsalicylaldimine

Chemical Property of Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[(2-hydroxyphenyl)imino]methyl]-

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 325.204179104
• Heavy Atom Count: 24
• Complexity: 432

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)C=NC2=CC=CC=C2O

Technology Process of Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[(2-hydroxyphenyl)imino]methyl]-

There total 1 articles about Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[(2-hydroxyphenyl)imino]methyl]- 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: 95.0%

3,5-di-tert-butyl-2-hydroxybenzaldehyde (37942-07-7) + 2-amino-phenol (95-55-6) → 2,4-(di-tert-butyl)-6-{[(2'-hydroxyphenyl)imino]methyl}phenol (319482-73-0)

Guidance literature:

With formic acid; In ethanol; at 90 ℃; for 2h; Inert atmosphere; Schlenk technique; Reflux;

DOI:10.1039/c6dt00990e

Reference yield: 75.0%

2,4-(di-tert-butyl)-6-{[(2'-hydroxyphenyl)imino]methyl}phenol (319482-73-0) → 2-(2′-hydroxy-3′,5′-di-tert-butylphenyl)benzoxazole (1352317-33-9)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; at 20 ℃; for 15h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c6dt00990e

Reference yield: 58.0%

manganese(II) acetate (638-38-0,993-02-2,2180-18-9,15411-95-7,22981-23-3,27004-39-3) + 3,5-di-tert-butyl-1,2-benzoquinone 1-oxime (325463-16-9) + 2,4-(di-tert-butyl)-6-{[(2'-hydroxyphenyl)imino]methyl}phenol (319482-73-0) → (3,5-di-t-butyl-1,2-benzoquinone 1-oximato)(N-(2-hydroxyphenyl)-3,5-di-t-butylsalicylaldiminato)manganese(II)

Guidance literature:

In methanol; soln. were mixed and stirred a stream of N2 (or air), N2 was bubbled through the soln. for 40 min at 40-45°C; soln. was evapd. under flow of N2, ppt. was filtered, washed with MeOH/H2O, cold MeOH (two times), dried in air, ppt. was crystd. from MeOH-acetone; elem. anal.;

DOI:10.1016/S1386-1425(02)00309-8

upstream raw materials:

3,5-di-tert-butyl-2-hydroxybenzaldehyde

2-amino-phenol

Downstream raw materials:

(OC₆H₄NCHC₆H₂(C(CH₃)3)2O)B(OPO(C₆H₅)2)

2-(2′-hydroxy-3′,5′-di-tert-butylphenyl)benzoxazole