2,6-DI-Tert-butyl-4-ethoxymethyl-phenol

Base Information

• Chemical Name: 2,6-DI-Tert-butyl-4-ethoxymethyl-phenol
• CAS No.: 3080-84-0
• Molecular Formula: C17H28O2
• Molecular Weight: 264.408
• Hs Code.: 2909500000
• DSSTox Substance ID: DTXSID40563109
• Nikkaji Number: J519.652C
• Wikidata: Q82447461
• Mol file: 3080-84-0.mol

Synonyms:2,6-DI-TERT-BUTYL-4-ETHOXYMETHYL-PHENOL;3080-84-0;2,6-ditert-butyl-4-(ethoxymethyl)phenol;2,6-Di-tert-butyl-4-(ethoxymethyl)phenol;Phenol, 2,6-bis(1,1-dimethylethyl)-4-(ethoxymethyl)-;MFCD09908127;SCHEMBL2680047;DTXSID40563109;2,6-di-t-butyl-4-ethoxymethylphenol;AKOS005254872;2,6-Di-tert-butyl-4-ethoxymethylphenol;MS-20046;D92987

Chemical Property of 2,6-DI-Tert-butyl-4-ethoxymethyl-phenol

Chemical Property:

• Melting Point: 38-38.5 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 162-163 °C(Press: 11 Torr)
• PKA: 11.81±0.40(Predicted)
• PSA: 29.46000
• Density: 0.954±0.06 g/cm3(Predicted)
• LogP: 4.52370
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 264.208930132
• Heavy Atom Count: 19
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

2,6-DI-TERT-BUTYL-4-ETHOXYMETHYL-PHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Technology Process of 2,6-DI-Tert-butyl-4-ethoxymethyl-phenol

There total 4 articles about 2,6-DI-Tert-butyl-4-ethoxymethyl-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: 5.0%

ethanol (64-17-5) + 2,6-di-tert-butyl-4-methyl-phenol (128-37-0) → 2,6-di-tert-butyl-4-ethoxymethylphenol (3080-84-0) + 3,5-di-t-butyl-4-hydroxybenzaldehyde (1620-98-0)

Guidance literature:

With oxygen; copper dichloride; acetone oxime; at 40 ℃; for 5h; under 860.3 Torr;

DOI:10.1246/bcsj.66.251

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,6-di-tert-butylphenol (128-39-2) → 2,6-di-tert-butyl-4-ethoxymethylphenol (3080-84-0) + 4,4'-Methylenebis(2,6-di-tert-butylphenol) (118-82-1)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01575a051

Reference yield:

ethanol (64-17-5) + 3,5-di-tert-butyl-4-hydroxybenzyl alcohol (88-26-6) → 2,6-di-tert-butyl-4-ethoxymethylphenol (3080-84-0) + bis(3,5-di-tert-butyl-4-hydroxybenzyl)selenide

Guidance literature:

With selenium; sodium tetrahydroborate; for 20h; Inert atmosphere; Reflux;

DOI:10.1007/s11172-021-3077-7

upstream raw materials:

formaldehyd

2,6-di-tert-butylphenol

ethanol

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

Downstream raw materials:

2,6-di-tert-butyl-4-ethoxymethylenecyclohexa-2,5-dienone