2-Amino-3,5-di-tert-butylphenol

Base Information

• Chemical Name: 2-Amino-3,5-di-tert-butylphenol
• CAS No.: 24973-57-7
• Molecular Formula: C14H23NO
• Molecular Weight: 221.343
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID30429088
• Nikkaji Number: J767.153I
• Wikidata: Q82241996
• Mol file: 24973-57-7.mol

Synonyms:2-Amino-3,5-di-tert-butylphenol;24973-57-7;2-amino-3,5-ditert-butylphenol;3,5-di-t-butyl-o-aminophenol;SCHEMBL6566674;DTXSID30429088;2-Amino-3,5-di(tert-butyl)phenol;SB80067;AE-562/12295059

Chemical Property of 2-Amino-3,5-di-tert-butylphenol

Chemical Property:

• PSA: 46.25000
• LogP: 4.15060
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 221.177964357
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

2-Amino-3,5-di-tert-butylphenol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)O)N)C(C)(C)C

Technology Process of 2-Amino-3,5-di-tert-butylphenol

There total 2 articles about 2-Amino-3,5-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: 90.0%

2-Nitro-3,5-di-tert-butyl-phenol (3114-67-8) → 2-amino-3,5-di(tert-butyl)phenol (24973-57-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 24h; under 1125.11 Torr; Cooling with liquid nitrogen; Sealed tube;

DOI:10.1002/chem.201702378

Reference yield:

3,5-Di-tert-butylphenol (1138-52-9) → 2-amino-3,5-di(tert-butyl)phenol (24973-57-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid / ethyl acetate / 0.25 h / 20 °C / Inert atmosphere

2: palladium 10% on activated carbon; hydrogen / methanol / 24 h / 20 °C / 1125.11 Torr / Cooling with liquid nitrogen; Sealed tube

With sulfuric acid; palladium 10% on activated carbon; hydrogen; nitric acid; In methanol; ethyl acetate;

DOI:10.1002/chem.201702378

Reference yield: 100.0%

2-amino-3,5-di(tert-butyl)phenol (24973-57-7) → 2,4-di-tert-butyl-6-iminocyclohexa-2,4-dienoneine (91054-21-6)

Guidance literature:

With lead dioxide; In acetonitrile; for 12h; Ambient temperature;

DOI:10.1021/jo00193a024

upstream raw materials:

2-Nitro-3,5-di-tert-butyl-phenol

3,5-Di-tert-butylphenol

Downstream raw materials:

2-benzoylamino-3,5-di-tert-butyl-phenol

3,5-di-tert-butyl-o-benzoquinone

2,4-di-tert-butyl-6-iminocyclohexa-2,4-dienoneine

4,6-di-tert-butyl-2-phenyl-benzooxazole

Refernces

• 1、 Koehne, Ingo,Bachmann, Sebastian,Niklas, Thomas,Herbst-Irmer, Regine,Stalke, Dietmar. "A Novel Bulky Heteroaromatic-Substituted Methanide Mimicking NacNac: Bis(4,6-tert-butylbenzoxazol-2-yl)methanide in s-Block Metal Coordination". . p. 13141 - 13149. Retrieved 2017.