Di-o-tolyl ether

Base Information

• Chemical Name: Di-o-tolyl ether
• CAS No.: 4731-34-4
• Molecular Formula: C14H14O
• Molecular Weight: 198.265
• European Community (EC) Number: 248-948-6,225-233-7
• DSSTox Substance ID: DTXSID10892276
• Nikkaji Number: J262.415J
• Wikidata: Q81982033
• Mol file: 4731-34-4.mol

Synonyms:1-methyl-2-(2-methylphenoxy)benzene;Di-o-tolyl ether;4731-34-4;bis(2-methylphenyl) ether;Ditolyl ether;Benzene,1,1'-oxybis[methyl-;TOLYL ETHER;benzene, 1,1'-oxybis[2-methyl-;Benzene, 1,1'-oxybis(methyl-;Benzene, 1,1'-oxybis(2-methyl-;EINECS 225-233-7;EINECS 248-948-6;AI3-02478;2,2'-dimethyldiphenyl ether;1,1'-oxybis(2-methylbenzene);o-Tolyl ether;bis(o-tolyl) ether;SCHEMBL127000;DTXSID10892276;MFCD00035807;LS-30925;EC 248-948-6

Chemical Property of Di-o-tolyl ether

Chemical Property:

• Refractive Index: 1.5948 (estimate)
• Boiling Point: 274.5°Cat760mmHg
• Flash Point: 114.3°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: 170

Purity/Quality:

99%min ^*data from raw suppliers

1-METHYL-2-(2-METHYLPHENOXY)BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1OC2=CC=CC=C2C
• General Description: 1-METHYL-2-(2-METHYLPHENOXY)BENZENE, also known as 2,2'-dimethyldiphenyl ether or bis(2-methylphenyl)ether, is a substituted diphenyl ether characterized by the presence of methyl groups at the ortho positions of both aromatic rings. 1-METHYL-2-(2-METHYLPHENOXY)BENZENE is structurally related to diphenyl ether but exhibits altered physicochemical properties due to the steric and electronic effects of the methyl substituents. It may serve as an intermediate in organic synthesis or find applications in materials science, though specific uses depend on its reactivity and stability under various conditions. Further studies would be required to elucidate its detailed chemical behavior and potential applications.

Technology Process of Di-o-tolyl ether

There total 19 articles about Di-o-tolyl 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: 98.0%

ortho-methylphenyl iodide (615-37-2) + ortho-cresol (95-48-7,77504-84-8) → 2,2'-dimethyldiphenyl ether (4731-34-4)

Guidance literature:

With copper(I) oxide; trans-1,2-bis(2'-pyridylidenamino)cyclohexane; caesium carbonate; 3 A molecular sieve; In N,N-dimethyl-formamide; at 110 ℃; for 35h;

DOI:10.1021/ol036290g

Reference yield: 98.0%

→ 2,2'-dimethyldiphenyl ether (4731-34-4)

Guidance literature:

Reference yield: 97.0%

2-methylphenyl bromide (95-46-5) + ortho-cresol (95-48-7,77504-84-8) → 2,2'-dimethyldiphenyl ether (4731-34-4)

Guidance literature:

With di-tert-butyl{2′-isopropoxy-[1,1′-binaphthalen]-2-yl}phosphane; potassium phosphate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 110 ℃; for 18h; Inert atmosphere;

DOI:10.1016/j.tet.2015.05.104

upstream raw materials:

o-cresol; aluminium (III)-compound

2-methylphenyl bromide

ortho-cresol

o-toluidine

Downstream raw materials:

4,4'-dicyano-2,2'-dimethyldiphenyl ether

4,4'-dicyano-2,2'-dibromomethyldiphenyl ether

2,2'-dimethyldiphenyl ether-4,4'-diamidoxime

4,4'-diamidino-2,2'-dimethyldiphenyl ether dihydrochloride