Methoxyphenone

Base Information

• Chemical Name: Methoxyphenone
• CAS No.: 41295-28-7
• Molecular Formula: C16H16O2
• Molecular Weight: 240.302
• Hs Code.: 29143990
• European Community (EC) Number: 255-300-6
• UNII: 0FKO9511Y1
• DSSTox Substance ID: DTXSID80194279
• Nikkaji Number: J1.894E
• Wikidata: Q27155832
• Metabolomics Workbench ID: 155916
• ChEMBL ID: CHEMBL2272262
• Mol file: 41295-28-7.mol

Synonyms:METHOXYPHENONE;41295-28-7;Kayametone;4-Methoxy-3,3'-dimethylbenzophenone;(4-Methoxy-3-methylphenyl)(m-tolyl)methanone;NK 049;Methanone, (4-methoxy-3-methylphenyl)(3-methylphenyl)-;EINECS 255-300-6;BRN 1966899;(4-Methoxy-3-methylphenyl)(3-methylphenyl)methanone;(4-methoxy-3-methylphenyl)-(3-methylphenyl)methanone;UNII-0FKO9511Y1;CHEBI:82245;0FKO9511Y1;3,3'-Dimethyl-4-methoxybenzophenone;SCHEMBL51436;CHEMBL2272262;DTXSID80194279;LS-91295;C19124;Methoxyphenone, PESTANAL(R), analytical standard;Q27155832

Chemical Property of Methoxyphenone

Chemical Property:

• Melting Point: 62.25°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 391 °C at 760 mmHg
• Flash Point: 174.4 °C
• PSA: 26.30000
• Density: 1.072 g/cm³
• LogP: 3.54300
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• Water Solubility.: 2mg/L(20 oC)
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 240.115029749
• Heavy Atom Count: 18
• Complexity: 287

Purity/Quality:

99%, ^*data from raw suppliers

Methoxyphenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)C2=CC(=C(C=C2)OC)C
• Uses: Methoxyphenone is a pesticidal compound, and it is used in preparation of Nitrones as herbicides.

Technology Process of Methoxyphenone

There total 3 articles about Methoxyphenone 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: 95.0%

2-methylmethoxybenzene (578-58-5) + 3-Methylbenzoyl chloride (1711-06-4) → 3,3'-dimethyl-4-methoxy-benzophenone (41295-28-7)

Guidance literature:

With aluminium trichloride; In chloroform; at 20 ℃; for 1h;

DOI:10.1039/b000832j

Reference yield: 60.0%

2-methylmethoxybenzene (578-58-5) + m-Toluic acid (99-04-7) → 3,3'-dimethyl-4-methoxy-benzophenone (41295-28-7)

Guidance literature:

In PPA;

Reference yield:

→ 3,3'-dimethyl-4-methoxy-benzophenone (41295-28-7)

Guidance literature:

o-Methylanisol + m-Toluylchlorid/AlCl3 (o.a.);

upstream raw materials:

2-methylmethoxybenzene

3-Methylbenzoyl chloride

m-Toluic acid

Downstream raw materials:

[3-(bromomethyl)phenyl][3-(bromomethyl)-4-methoxyphenyl]ketone

Refernces

• 1、 Kumar, Subodh,Hundal, Geeta,Paul, Dharam,Singh Hundal, Maninder,Singh, Harjit. "Heterocalixarenes. Part 4 - Synthesis of oxocalix[1]heterocycle[2]-arenes: A unique H-bonding network in calix[1]benzimidazol-2-one[2]arene·1/2 H2O". . p. 2295 - 2301. Retrieved 2007/10/03.
• 2、 -. "Benzophenone herbicides". . . Retrieved 2008/06/13.