N-[3-[2,4-Bis(1,1-dimethylpropyl)phenoxy]propyl]-1-hydroxy-2-naphthalenecarboxamide

Base Information

• Chemical Name: N-[3-[2,4-Bis(1,1-dimethylpropyl)phenoxy]propyl]-1-hydroxy-2-naphthalenecarboxamide
• CAS No.: 41434-22-4
• Molecular Formula: C30H39NO3
• Molecular Weight: 461.63600
• DSSTox Substance ID: DTXSID101129915
• Nikkaji Number: J487.824H
• Mol file: 41434-22-4.mol

Synonyms:N-[3-[2,4-Bis(1,1-dimethylpropyl)phenoxy]propyl]-1-hydroxy-2-naphthalenecarboxamide;SCHEMBL9400540;DTXSID101129915;41434-22-4;1-hydroxy-N-[gamma-(2,4-di-tert-amylphenoxy)propyl]-2-naphthamide;2-naphthalenecarboxamide, N-[3-[2,4-bis(1,1-dimethylpropyl)phenoxy]propyl]-1-hydroxy-;N-{3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl}-1-hydroxynaphthalene-2-carboxamide

Chemical Property of N-[3-[2,4-Bis(1,1-dimethylpropyl)phenoxy]propyl]-1-hydroxy-2-naphthalenecarboxamide

Chemical Property:

• PSA: 58.56000
• LogP: 7.51040
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 461.29299411
• Heavy Atom Count: 34
• Complexity: 645

Purity/Quality:

99.0%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCCCNC(=O)C2=C(C3=CC=CC=C3C=C2)O)C(C)(C)CC

Technology Process of N-[3-[2,4-Bis(1,1-dimethylpropyl)phenoxy]propyl]-1-hydroxy-2-naphthalenecarboxamide

There total 3 articles about N-[3-[2,4-Bis(1,1-dimethylpropyl)phenoxy]propyl]-1-hydroxy-2-naphthalenecarboxamide 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:

3-(2,4-di-tert-pentyl-phenoxy)-propylamine (61053-26-7) → 1-hydroxy-[2]naphthoic acid-[3-(2,4-di-tert-pentyl-phenoxy)-propylamide] (41434-22-4)

Guidance literature:

at 150 ℃;

Reference yield:

2,4-di-tert-amylphenol (120-95-6) → 1-hydroxy-[2]naphthoic acid-[3-(2,4-di-tert-pentyl-phenoxy)-propylamide] (41434-22-4)

Guidance literature:

Multi-step reaction with 3 steps

1: dioxane; aqueous trimethyl-benzyl-ammonium hydroxide solution

2: Raney nickel; methanol / 100 °C / Hydrogenation

3: 150 °C

With 1,4-dioxane; methanol; N-benzyl-trimethylammonium hydroxide; nickel;

Reference yield:

3-(2,4-di-tert-pentyl-phenoxy)-propionitrile (64755-43-7) → 1-hydroxy-[2]naphthoic acid-[3-(2,4-di-tert-pentyl-phenoxy)-propylamide] (41434-22-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Raney nickel; methanol / 100 °C / Hydrogenation

2: 150 °C

With methanol; nickel;

upstream raw materials:

3-(2,4-di-tert-pentyl-phenoxy)-propylamine

2,4-di-tert-amylphenol

3-(2,4-di-tert-pentyl-phenoxy)-propionitrile