2,6-Di-tert-butyl-4-propylphenol

Base Information

• Chemical Name: 2,6-Di-tert-butyl-4-propylphenol
• CAS No.: 4973-24-4
• Molecular Formula: C17H28O
• Molecular Weight: 248.409
• DSSTox Substance ID: DTXSID90197998
• Nikkaji Number: J997.130K
• Wikidata: Q83070760

Synonyms:2,6-Di-tert-butyl-4-propylphenol;Phenol, 2,6-di-tert-butyl-4-propyl-;4973-24-4;SCHEMBL163700;DTXSID90197998;4-n-propyl-2,6-di-t-butylphenol

Chemical Property of 2,6-Di-tert-butyl-4-propylphenol

Chemical Property:

• Vapor Pressure: 0.000964mmHg at 25°C
• Boiling Point: 293.8°Cat760mmHg
• Flash Point: 132.2°C
• Density: 0.918g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 248.214015512
• Heavy Atom Count: 18
• Complexity: 232

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Technology Process of 2,6-Di-tert-butyl-4-propylphenol

There total 6 articles about 2,6-Di-tert-butyl-4-propylphenol 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: 74.0%

1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1-propanol (20017-35-0) → 2,6-di-tert-butyl-4-propyllphenol (4973-24-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; chlorobenzene; for 3h; Heating;

DOI:10.1016/S0040-4039(98)01803-6

Reference yield: 27.7%

5,7-Di-tert-butyl-2-methyl-spiro[2.5]octa-4,7-dien-6-on (17207-15-7) → 2,6-di-tert-butyl-4-propyllphenol (4973-24-4) + 4-allyl-2,6-di-tert-butylphenol (13677-69-5) + 2,6-di-tert-butyl-4-isopropylphenol (5427-03-2)

Guidance literature:

In N,N-dimethyl-formamide; for 0.333333h; electrolysis, n-Bu₄NClO₄;

DOI:10.1021/ja972795o

Reference yield:

2,6-di-tert-butylphenol (128-39-2) + 2,2'-[1,2-ethanediylbis(oxy)]bisethanol (112-27-6) → 2,6-di-tert-butyl-4-ethylphenol (4130-42-1) + 2,6-di-tert-butyl-4-propyllphenol (4973-24-4) + 1,2-bis(2,6-di-tert-butyl-4-hydroxyphenyl)ethane (96469-23-7) + 1,4-bis(2,6-di-tert-butyl-4-hydroxyphenyl)butane + 2,6-di-tert-butyl-4-methyl-phenol (128-37-0) + 2,6-di-tert-butyl-4-isopropylphenol (5427-03-2) + 2-(3,5-di-t-butyl-4-hydroxyphenyl)ethanol (3673-68-5) + ethylene glycol 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-ethyl ether (39169-63-6) + 6-di-t-butyl-4-ethylphenol (96-70-8) + 4-butyl-2,6-di-tert-butylphenol (5530-30-3)

Guidance literature:

With sodium hydroxide; at 220 ℃; for 5h;

DOI:10.1134/S1070363208090144

upstream raw materials:

4-n-Propylphenol

isobutene

5,7-Di-tert-butyl-2-methyl-spiro[2.5]octa-4,7-dien-6-on

1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1-propanol

Downstream raw materials:

Ethaneperoxoic acid 3,5-di-tert-butyl-4-oxo-1-propyl-cyclohexa-2,5-dienyl ester

1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-propan-1-one

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