1,1'-Oxybis(3,5-dimethylbenzene)

Base Information

• Chemical Name: 1,1'-Oxybis(3,5-dimethylbenzene)
• CAS No.: 137591-57-2
• Molecular Formula: C16H18O
• Molecular Weight: 226.318
• DSSTox Substance ID: DTXSID40570530
• Nikkaji Number: J740.418B
• Wikidata: Q82458013
• Mol file: 137591-57-2.mol

Synonyms:137591-57-2;SCHEMBL458268;DTXSID40570530;1,1'-Oxybis(3,5-dimethylbenzene)

Chemical Property of 1,1'-Oxybis(3,5-dimethylbenzene)

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 226.135765193
• Heavy Atom Count: 17
• Complexity: 194

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)C)C)C

Technology Process of 1,1'-Oxybis(3,5-dimethylbenzene)

There total 6 articles about 1,1'-Oxybis(3,5-dimethylbenzene) 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%

3,5-dimethylphenyl iodide (22445-41-6) → 5,5'-oxybis(1,3-dimethylbenzene) (137591-57-2)

Guidance literature:

With potassium phosphate; copper(l) iodide; 2,2,6,6-tetramethylheptane-3,5-dione; water; In ethanol; at 130 ℃; for 30h; chemoselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1002/chem.201001373

Reference yield: 79.0%

5-bromo-1,3-xylene (556-96-7) + 3,5-Dimethylphenol (108-68-9,50356-23-5) → 5,5'-oxybis(1,3-dimethylbenzene) (137591-57-2)

Guidance literature:

With 2-[(dimethylamino)methyl]-1-thiophenolato-copper(I); caesium carbonate; In 1-methyl-pyrrolidin-2-one; at 160 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.tet.2010.09.019

Reference yield: 8.0%

5-bromo-1,3-xylene (556-96-7) + <18O>-1-phenyl-1-ethanol (73020-77-6) → C16H18(18)O + 3,3',5,5'-tetramethyl-1,1'-biphenyl (25570-02-9) + 5,5'-oxybis(1,3-dimethylbenzene) (137591-57-2)

Guidance literature:

With palladium diacetate; 2-tBuP-3,4,5,6-Me₄-2',4',6'-tri-isopropylbiphenyl; caesium carbonate; In toluene; at 90 ℃; for 24h;

DOI:10.1021/ja050471r

upstream raw materials:

3,5-Dimethylphenol

5-bromo-1,3-xylene

<18O>-1-phenyl-1-ethanol

iso-butanol