4-[2-(1,3-Benzoxazol-2-yl)ethyl]-2,6-di-tert-butylphenol

Base Information

• Chemical Name: 4-[2-(1,3-Benzoxazol-2-yl)ethyl]-2,6-di-tert-butylphenol
• CAS No.: 27617-98-7
• Molecular Formula: C₂₃H₂₉NO₂
• Molecular Weight: 351.489
• DSSTox Substance ID: DTXSID90533211
• Wikidata: Q82406369

Synonyms:27617-98-7;SCHEMBL7735664;DTXSID90533211;4-[2-(1,3-Benzoxazol-2-yl)ethyl]-2,6-di-tert-butylphenol

Chemical Property of 4-[2-(1,3-Benzoxazol-2-yl)ethyl]-2,6-di-tert-butylphenol

Chemical Property:

• XLogP3: 7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 351.219829168
• Heavy Atom Count: 26
• Complexity: 440

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC2=NC3=CC=CC=C3O2

Technology Process of 4-[2-(1,3-Benzoxazol-2-yl)ethyl]-2,6-di-tert-butylphenol

There total 2 articles about 4-[2-(1,3-Benzoxazol-2-yl)ethyl]-2,6-di-tert-butylphenol 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: 66.0%

Hydrochloride of ethyl iminoester of β-(4-hydroxy-3,5-di-tert-butylphenyl)propionic Acid + 2-amino-phenol (95-55-6) → 2-<2-(4-Hydroxy-3,5-di-tert-butylphenyl)ethyl>benzoxazole (27617-98-7)

Guidance literature:

In ethanol; for 2h; Heating;

DOI:10.1007/BF00506956

Reference yield:

→ 2-<2-(4-Hydroxy-3,5-di-tert-butylphenyl)ethyl>benzoxazole (27617-98-7)

Guidance literature:

3-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-propionsaeuremethylester (aus 2,6-Di-tert-butyl-phenol, Acrylsaeuremethylester) + entspr. Aminophenol;

upstream raw materials:

2-amino-phenol

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