1,3-Di-tert-butyl-5-phenoxybenzene

Base Information

• Chemical Name: 1,3-Di-tert-butyl-5-phenoxybenzene
• CAS No.: 62787-21-7
• Molecular Formula: C20H26O
• Molecular Weight: 282.426
• DSSTox Substance ID: DTXSID20543343
• Nikkaji Number: J963.011B
• Wikidata: Q82420184
• Mol file: 62787-21-7.mol

Synonyms:1,3-Di-tert-butyl-5-phenoxybenzene;62787-21-7;DTXSID20543343

Chemical Property of 1,3-Di-tert-butyl-5-phenoxybenzene

Chemical Property:

• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 282.198365449
• Heavy Atom Count: 21
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1)OC2=CC=CC=C2)C(C)(C)C

Technology Process of 1,3-Di-tert-butyl-5-phenoxybenzene

There total 21 articles about 1,3-Di-tert-butyl-5-phenoxybenzene 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: 95.0%

1-bromo-3,5-di-tert-butylbenzene (22385-77-9) + phenol (108-95-2,27073-41-2) → 3,5-di-tert-butylphenyl phenyl ether (62787-21-7)

Guidance literature:

With copper(l) iodide; iron(III)-acetylacetonate; potassium carbonate; In N,N-dimethyl-formamide; at 135 ℃; for 12h; Inert atmosphere;

DOI:10.1055/s-0030-1259291

Reference yield: 94.0%

iodobenzene (591-50-4) + 3,5-Di-tert-butylphenol (1138-52-9) → 3,5-di-tert-butylphenyl phenyl ether (62787-21-7)

Guidance literature:

With copper(II) glycinate monohydrate; potassium hydroxide; In dimethyl sulfoxide; at 80 ℃; for 8h;

DOI:10.1016/j.tetlet.2012.06.071

Reference yield: 90.0%

bromobenzene (108-86-1,52753-63-6) + 3,5-Di-tert-butylphenol (1138-52-9) → 3,5-di-tert-butylphenyl phenyl ether (62787-21-7)

Guidance literature:

With copper(II) glycinate monohydrate; potassium hydroxide; In dimethyl sulfoxide; at 80 ℃; for 8h;

DOI:10.1016/j.tetlet.2012.06.071

upstream raw materials:

3,5-Di-tert-butylphenol

diphenyliodonium chloride

triphenylsulfonium bromide

triphenylbismuthane

Downstream raw materials:

3,5-Di-tert-butylphenol

benzene