2,6-DI-Tert-butyl-4-methoxyphenol

Base Information

• Chemical Name: 2,6-DI-Tert-butyl-4-methoxyphenol
• CAS No.: 489-01-0
• Molecular Formula: C15H24O2
• Molecular Weight: 236.354
• Hs Code.: 29095000
• European Community (EC) Number: 207-693-0
• NSC Number: 14451
• UNII: 616072TMXY
• DSSTox Substance ID: DTXSID8041379
• Nikkaji Number: J151.263C
• Wikidata: Q27263301
• Pharos Ligand ID: 6SC1SDC8J9LK
• Metabolomics Workbench ID: 143572
• ChEMBL ID: CHEMBL98253
• Mol file: 489-01-0.mol

Synonyms:Topanol 354

Chemical Property of 2,6-DI-Tert-butyl-4-methoxyphenol

Chemical Property:

• Appearance/Colour: White to beige crystalline powder
• Vapor Pressure: 0.000757mmHg at 25°C
• Melting Point: 102-106 °C(lit.)
• Refractive Index: 1.495
• Boiling Point: 297.5 °C at 760 mmHg
• PKA: 13.04±0.40(Predicted)
• Flash Point: 78.8 °C
• PSA: 29.46000
• Density: 0.963 g/cm³
• LogP: 3.99580
• Solubility.: soluble in Methanol
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 236.177630004
• Heavy Atom Count: 17
• Complexity: 223

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,6-Di-tert-butyl-4-methoxyphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC
• Uses: 2,6-Di-tert-butyl-4-methoxyphenol has been used to protect cosmetics, drugs and foods from oxidative degradation.

Technology Process of 2,6-DI-Tert-butyl-4-methoxyphenol

There total 41 articles about 2,6-DI-Tert-butyl-4-methoxyphenol 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: 100.0%

Carbonic acid tert-butyl ester 2,6-di-tert-butyl-4-methoxy-phenyl ester → 2,6-Di-t-butyl-4-methoxyphenol (489-01-0)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 28h; Product distribution; deprotection;

DOI:10.1016/S0040-4039(98)00411-0

Reference yield: 93.0%

2,6-di-tert-butyl-4-hydroxyphenol (2444-28-2) + methyl p-toluene sulfonate (80-48-8) → 2,6-Di-t-butyl-4-methoxyphenol (489-01-0)

Guidance literature:

With sodium hydroxide; at 90 - 100 ℃; for 1.5h;

Reference yield: 76.0%

4-(1-hydroxypropyl)-4-methoxy-2,6-di-t-butylcyclohexa-2,5-dienone (77074-15-8) → 2,6-Di-t-butyl-4-methoxyphenol (489-01-0)

Guidance literature:

With sulfuric acid; for 2h; Ambient temperature;

upstream raw materials:

2,4,6-tri-tert-butyl-4-methoxy-2,5-cyclohexadienone

4-methoxy-phenol

isobutene

tert-butyl alcohol

Downstream raw materials:

2,6-di-tert-butyl-4,4-dimethoxycyclohexa-2,5-dien-1-one

(4-methoxy-2,6-di-tert-butylphenoxy)oxalyl chloride

2,6-di-tert-butyl-4-methoxyphenoxyl radical

2,6-di-tert-butyl-4-methyl-phenol

Refernces

• 1、 Pavlinac, Jasminka,Zupan, Marko,Stavber, Stojan. "Transformations of organic molecules with F-TEDA-BF4 in ionic liquid media". experimental part. p. 2394 - 2409. Retrieved 2009/12/03.
• 2、 Lucarini, Marco,Mugnaini, Veronica,Pedulli, Gian Franco,Guerra, Maurizio. "Hydrogen-bonding effects on the properties of phenoxyl radicals. An EPR, kinetic, and computational study". . p. 8318 - 8329. Retrieved 2007/10/03.