3-Phenoxytoluene

Base Information

• Chemical Name: 3-Phenoxytoluene
• CAS No.: 3586-14-9
• Molecular Formula: C13H12O
• Molecular Weight: 184.238
• Hs Code.: 29093090
• European Community (EC) Number: 222-716-4
• UNII: 2ZZI1Z67WR
• DSSTox Substance ID: DTXSID8027537
• Nikkaji Number: J60.132B
• Wikidata: Q27255873
• ChEMBL ID: CHEMBL3188057
• Mol file: 3586-14-9.mol

Synonyms:1-methyl-3-phenoxybenzene;3-methyldiphenyl ether;3-methylphenyl phenyl ether;3-phenoxytoluene

Chemical Property of 3-Phenoxytoluene

Chemical Property:

• Appearance/Colour: Clear very slightly yellow liquid
• Vapor Pressure: 0.0122mmHg at 25°C
• Melting Point: 160 °C
• Refractive Index: n20/D 1.573(lit.)
• Boiling Point: 269.101 °C at 760 mmHg
• Flash Point: 110.848 °C
• PSA: 9.23000
• Density: 1.045 g/cm³
• LogP: 3.78730
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 184.088815002
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

m-Phenoxytoluene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)OC2=CC=CC=C2
• Uses: m-Phenoxytoluene, is a Diaryl ethers, which are important intermediate of the pesticides, and are widely used in synthesis of insecticides such as pyrethroids, and fungicides such as Difenoconazole (D445370).

Technology Process of 3-Phenoxytoluene

There total 34 articles about 3-Phenoxytoluene 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%

3-Iodotoluene (625-95-6) + phenol (108-95-2,27073-41-2) → 3-phenoxytoluene (3586-14-9)

Guidance literature:

With copper(I) oxide; caesium carbonate; In tetrahydrofuran; at 150 ℃; for 3h;

DOI:10.1002/ejic.200900730

Reference yield: 97.0%

meta-bromotoluene (591-17-3) + phenol (108-95-2,27073-41-2) → 3-phenoxytoluene (3586-14-9)

Guidance literature:

With copper(l) iodide; potassium carbonate; at 140 ℃; for 2h; Irradiation;

Reference yield: 97.0%

iodobenzene (591-50-4) + 3-methyl-phenol (108-39-4) → 3-phenoxytoluene (3586-14-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 1.5h; Catalytic behavior;

DOI:10.1002/aoc.5708

upstream raw materials:

bromobenzene

3-methyl-phenol

benzenediazonium sulphate

phenol

Downstream raw materials:

3-methylphenoxathiine

m-methylcyclohexanol

3-phenoxybenzoic acid

2'-methyl-4'-phenoxyacetophenone

Refernces

• 1、 Ling, Pengxiang,Li, Dao,Wang, Xingyi. "Supported CuO/γ-Al2O3 as heterogeneous catalyst for synthesis of diaryl ether under ligand-free conditions". . p. 112 - 116. Retrieved 2012.
• 2、 -. "Preparation method of m-phenoxy benzaldehyde". Paragraph 0034; 0067-0068. . Retrieved 2021/04/28.
• 3、 Noorpoor, Zeinab,Tavangar, Saeed. "Preparation and characterization of Cu based on 5,5'-bistetrazole as a recyclable metal-organic framework and application in synthesis of diaryl ether by the Ullmann coupling reaction". . p. 1651 - 1662. Retrieved 2021/05/10.