4-Me-phenoxy

Base Information

• Chemical Name: 4-Me-phenoxy
• CAS No.: 3174-48-9
• Molecular Formula: C7H7 O
• Molecular Weight: 107.132
• DSSTox Substance ID: DTXSID40185628
• Nikkaji Number: J329.355F
• Mol file: 3174-48-9.mol

Synonyms:4-Me-phenoxy;3174-48-9;DTXSID40185628

Chemical Property of 4-Me-phenoxy

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 107.049689843
• Heavy Atom Count: 8
• Complexity: 62.8

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)[O]

Technology Process of 4-Me-phenoxy

There total 43 articles about 4-Me-phenoxy 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: 22.1%

2-(4-methylphenoxy)acetophenone (14538-45-5) → p-cresol (106-44-5) + p-methylphenoxyl radical (3174-48-9) + 2-oxo-2-phenyl-ethyl (50781-28-7) + acetophenone (98-86-2) + phenacylacetophenone (495-71-6) + 1-phenyl-2-p-tolylethanone (2430-99-1)

Guidance literature:

thiophenol; In benzene; Product distribution; Quantum yield; Kinetics; Irradiation;

DOI:10.1021/jo00288a019

Reference yield:

p-cresol (106-44-5) + CH3I(1+)*CHCl3*Cl(1-) → chloroform (67-66-3,8013-54-5) + p-methylphenoxyl radical (3174-48-9) + methyl iodide (74-88-4)

Guidance literature:

In chloroform; at 22 ℃; Rate constant; multistep reaction;

DOI:10.1021/j100164a045

Reference yield:

p-cresol (106-44-5) + p,p'-ditolylaminyl radical (1942-23-0) → p-methylphenoxyl radical (3174-48-9) + di-p-tolylamine (620-93-9)

Guidance literature:

In decane; Thermodynamic data; Irradiation; E₁, logA₁;

DOI:10.1007/BF00713594

upstream raw materials:

p-cresol

perfluorobutylperoxyl radical

phenoxy radical

p-cresolate

Downstream raw materials:

p-cresolate

phenoxy radical

4-methoxyphenoxyl

sodium 4-methylphenoxide

Refernces

• 1、 Amorati, Riccardo,Pedulli, Gian Franco,Guerra, Maurizio. "Hydrogen hyperfine splitting constants for phenoxyl radicals by DFT methods: Regression analysis unravels hydrogen bonding effects". body text. p. 3136 - 3141. Retrieved 2010/08/21.
• 2、 Dyubchenko,Nikulina,Terakh,Prosenko,Grigor'ev. "Synthesis and inhibitory activity of alkyl(hydroxyaryl)amines". . p. 1149 - 1155. Retrieved 2008/09/17.