Phenyl 3,5-xylyl ether

Base Information

• Chemical Name: Phenyl 3,5-xylyl ether
• CAS No.: 25539-14-4
• Molecular Formula: C14H14 O
• Molecular Weight: 198.265
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID8067105
• Nikkaji Number: J422.163J
• Wikidata: Q81993686
• ChEMBL ID: CHEMBL451594
• Mol file: 25539-14-4.mol

Synonyms:Phenyl 3,5-xylyl ether;25539-14-4;1,3-dimethyl-5-phenoxybenzene;Ether, phenyl 3,5-xylyl;3,5-Dimethylphenylphenyl ether;Benzene, 1,3-dimethyl-5-phenoxy-;3,5-dimethylphenyl ester;1-Phenoxy-3,5-dimethylbenzene;CHEMBL451594;SCHEMBL2672668;DTXSID8067105

Chemical Property of Phenyl 3,5-xylyl ether

Chemical Property:

• Vapor Pressure: 0.00478mmHg at 25°C
• Boiling Point: 285.6°Cat760mmHg
• Flash Point: 121.3°C
• PSA: 9.23000
• Density: 1.029g/cm³
• LogP: 4.09570
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.104465066
• Heavy Atom Count: 15
• Complexity: 174

Purity/Quality:

99% ^*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

Technology Process of Phenyl 3,5-xylyl ether

There total 15 articles about Phenyl 3,5-xylyl ether 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: 99.0%

bromobenzene (108-86-1,52753-63-6) + 3,5-Dimethylphenol (108-68-9,50356-23-5) → 1,3-dimethyl-5-phenoxybenzene (25539-14-4)

Guidance literature:

With copper(l) iodide; caesium carbonate; In 4-methyl-2-pentanone; at 110 ℃; for 24h; Inert atmosphere;

DOI:10.1039/b905205d

Reference yield: 99.0%

iodobenzene (591-50-4) + 3,5-Dimethylphenol (108-68-9,50356-23-5) → 1,3-dimethyl-5-phenoxybenzene (25539-14-4)

Guidance literature:

With copper(l) iodide; C₁₄H₈F₆N₂O; caesium carbonate; In Isopropyl acetate; at 110 ℃; for 24h; Green chemistry;

DOI:10.1039/c6ra02265k

Reference yield: 97.0%

3,5-dimethylphenyl iodide (22445-41-6) + phenol (108-95-2,27073-41-2) → 1,3-dimethyl-5-phenoxybenzene (25539-14-4)

Guidance literature:

With 2-acetonylpyridine; caesium carbonate; copper(I) bromide; In dimethyl sulfoxide; at 80 ℃; for 7h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/jo9012157

upstream raw materials:

bromobenzene

3,5-Dimethylphenol

5-bromo-1,3-xylene

phenol

Downstream raw materials:

ethyl 2,6-dimethyl-4-phenoxyphenylphosphonamide

5-phenoxy-7-methyl-1,2-dihydro-1-ethoxy-3H-2,1-benzazaphosphol-3-one 1-oxide