2-Amino-4-(2,4,4-trimethylpentan-2-yl)phenol

Base Information

• Chemical Name: 2-Amino-4-(2,4,4-trimethylpentan-2-yl)phenol
• CAS No.: 6073-20-7
• Molecular Formula: C14H23NO
• Molecular Weight: 221.343
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID2064103
• Nikkaji Number: J73.118H
• Wikidata: Q81991247
• Mol file: 6073-20-7.mol

Synonyms:6073-20-7;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-amino-4-(1,1,3,3-tetramethylbutyl)phenol;Phenol, 2-amino-4-(1,1,3,3-tetramethylbutyl)-;2-Amino-4-(1,1,3,3-tetramethyl-butyl)-phenol;2-Amino-4-tert-octylphenol;SCHEMBL6555468;DTXSID2064103;AKOS005217058;AS-76093;BB 0246777;D93533

Chemical Property of 2-Amino-4-(2,4,4-trimethylpentan-2-yl)phenol

Chemical Property:

• Vapor Pressure: 0.000103mmHg at 25°C
• Melting Point: 63 °C
• Boiling Point: 327.9°C at 760 mmHg
• PKA: 9.98±0.20(Predicted)
• Flash Point: 152.1°C
• PSA: 46.25000
• Density: 0.992g/cm³
• LogP: 4.26940
• Storage Temp.: 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 221.177964357
• Heavy Atom Count: 16
• Complexity: 229

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-4-(2,4,4-trimethylpentan-2-yl)phenol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-4-(2,4,4-trimethylpentan-2-yl)phenol

There total 5 articles about 2-Amino-4-(2,4,4-trimethylpentan-2-yl)phenol 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:

4-(1,1,3,3-tetramethylbutyl)-2-nitrophenol (46912-02-1) → 2-Amino-4-(1,1,3,3-tetramethyl-butyl)-phenol (6073-20-7)

Guidance literature:

With acetic acid; zinc;

DOI:10.1021/ja01648a068

Reference yield:

phenol (108-95-2,27073-41-2) → 2-Amino-4-(1,1,3,3-tetramethyl-butyl)-phenol (6073-20-7)

Guidance literature:

Multi-step reaction with 3 steps

1: KOH / 75 - 180 °C

2: glacial acetic acid; concentrated nitric acid

3: tin; aqueous hydrochloric acid

With hydrogenchloride; potassium hydroxide; tin; nitric acid; acetic acid;

DOI:10.1021/ie50347a014

Reference yield:

2,4,4-trimethyl-1-pentene (107-39-1) → 2-Amino-4-(1,1,3,3-tetramethyl-butyl)-phenol (6073-20-7)

Guidance literature:

Multi-step reaction with 3 steps

1: concentrated sulfuric acid / 20 - 25 °C

2: glacial acetic acid; concentrated nitric acid

3: tin; aqueous hydrochloric acid

With hydrogenchloride; tin; sulfuric acid; nitric acid; acetic acid;

DOI:10.1021/ie50347a014

upstream raw materials:

4-(1,1,3,3-tetramethylbutyl)-2-nitrophenol

2,4,4-trimethyl-1-pentene

tert-octylphenol

phenol

Downstream raw materials:

4-(tert-octyl)catechol

1-(4-Chloro-phenyl)-3-[2-hydroxy-5-(1,1,3,3-tetramethyl-butyl)-phenyl]-urea

1-(4-Chloro-3-trifluoromethyl-phenyl)-3-[2-hydroxy-5-(1,1,3,3-tetramethyl-butyl)-phenyl]-urea

1-(3,5-Bis-trifluoromethyl-phenyl)-3-[2-hydroxy-5-(1,1,3,3-tetramethyl-butyl)-phenyl]-urea