Benzene, 1-methyl-3-(4-methylphenoxy)-

Base Information

• Chemical Name: Benzene, 1-methyl-3-(4-methylphenoxy)-
• CAS No.: 51801-69-5
• Molecular Formula: C14H14O
• Molecular Weight: 198.265
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID40199745
• Nikkaji Number: J102.219I
• Wikidata: Q83072691
• Mol file: 51801-69-5.mol

Synonyms:51801-69-5;3,4'-Dimethyldiphenyl ether;Benzene, 1-methyl-3-(4-methylphenoxy)-;1-Methyl-3-(4-methylphenoxy)benzene;1-Methyl-3-(p-tolyloxy)benzene;m-Tolyl p-tolyl ether;3,4'-Methyldiphenyl ether;3,4'-oxybis(methylbenzene);SCHEMBL822088;3,4'-Dimethyl diphenyl ether;DTXSID40199745;MFCD00151815;AKOS015964106;1-Methyl-3-(4-methylphenoxy)benzene #;FT-0616827

Chemical Property of Benzene, 1-methyl-3-(4-methylphenoxy)-

Chemical Property:

• Vapor Pressure: 0.00471mmHg at 25°C
• Refractive Index: 1.5665
• Boiling Point: 285.8 °C at 760 mmHg
• Flash Point: 121.5 °C
• PSA: 9.23000
• Density: 1.029 g/cm³
• LogP: 4.09570
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.104465066
• Heavy Atom Count: 15
• Complexity: 182

Purity/Quality:

98%Min ^*data from raw suppliers

3,4'-DIMETHYLDIPHENYL ETHER 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, 1-methyl-3-(4-methylphenoxy)-

There total 11 articles about Benzene, 1-methyl-3-(4-methylphenoxy)- 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: 90.0%

para-bromotoluene (106-38-7) + 3-methyl-phenol (108-39-4) → 1-methyl-3-(4-methylphenoxy)-benzene (51801-69-5)

Guidance literature:

With potassium phosphate; copper(l) iodide; air; glyoxal bis(N-methyl-N-phenylhydrazone); In toluene; at 110 ℃; for 18h;

DOI:10.1055/s-0029-1217822

Reference yield: 89.0%

p-cresol (106-44-5) + 3-Iodotoluene (625-95-6) → 1-methyl-3-(4-methylphenoxy)-benzene (51801-69-5)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 130 ℃; for 24h;

DOI:10.1039/c5cy01590a

Reference yield: 80.0%

4-tolyl iodide (624-31-7) + 3-methyl-phenol (108-39-4) → 1-methyl-3-(4-methylphenoxy)-benzene (51801-69-5)

Guidance literature:

With (E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one; copper; potassium carbonate; In dimethyl sulfoxide; at 120 ℃; for 24h; chemoselective reaction;

DOI:10.1002/aoc.2886

upstream raw materials:

p-toluidine

3-methyl-phenol

para-bromotoluene

p-cresol

Downstream raw materials:

p-cresol

3,4′-oxybis(benzoic acid)

3-methyl-phenol

toluene

Refernces

• 1、 Puthiaraj, Pillaiyar,Ahn, Wha-Seung. "Synthesis of copper nanoparticles supported on a microporous covalent triazine polymer: An efficient and reusable catalyst for O-arylation reaction". . p. 1701 - 1709. Retrieved 2016/04/05.
• 2、 Mino, Takashi,Yagishita, Fumitoshi,Shibuya, Masanori,Kajiwara, Kenji,Shindo, Hiroaki,Sakamoto, Masami,Fujita, Tsutomu. "Copper(I)-catalyzed C-C and C-O coupling reactions using hydrazone ligands". experimental part. p. 2457 - 2460. Retrieved 2010/01/07.