10,10-Dimethylanthracen-9(10H)-one

Base Information

• Chemical Name: 10,10-Dimethylanthracen-9(10H)-one
• CAS No.: 5447-86-9
• Molecular Formula: C16H14O
• Molecular Weight: 222.287
• Hs Code.: 2914399090
• European Community (EC) Number: 226-666-4
• NSC Number: 17539
• UNII: E3A9WP7V4R
• DSSTox Substance ID: DTXSID90202874
• Nikkaji Number: J210.491A
• Wikidata: Q72469331
• ChEMBL ID: CHEMBL1871596
• Mol file: 5447-86-9.mol

Synonyms:10,10-dimethylanthrone

Chemical Property of 10,10-Dimethylanthracen-9(10H)-one

Chemical Property:

• Vapor Pressure: 5.68E-05mmHg at 25°C
• Melting Point: 101-103ºC
• Refractive Index: 1.59
• Boiling Point: 346.6°Cat760mmHg
• Flash Point: 149.4°C
• PSA: 17.07000
• Density: 1.105g/cm³
• LogP: 3.55690
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 222.104465066
• Heavy Atom Count: 17
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

10,10-Dimethylanthrone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2C(=O)C3=CC=CC=C31)C
• Uses: Derivative of Anthrone

Technology Process of 10,10-Dimethylanthracen-9(10H)-one

There total 26 articles about 10,10-Dimethylanthracen-9(10H)-one 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%

9,9-Dimethyl-10-(trimethylsilyl)-9,10-dihydroanthracene (136590-96-0) → 10,10-dimethyl-9,10-dihydroanthracen-9-one (5447-86-9)

Guidance literature:

With sodium dichromate; acetic acid; for 12h; Ambient temperature;

DOI:10.1021/jo00036a029

Reference yield: 80.0%

9-diazo-10,10-dimethyl-9,10-dihydroanthracene (85199-64-0) → 10,10-dimethyl-9,10-dihydroanthracen-9-one (5447-86-9) + 10-[10,10-dimethyl-9(10H)-anthracenyl]-9,10-dihydro-9,9-dimethylanthracene (85199-69-5)

Guidance literature:

With (Z)-2-Butene; Irradiation;

DOI:10.1016/S0040-4039(00)88356-2

Reference yield: 70.0%

9,10-Dihydro-10,10-dimethylanthracen (42332-94-5) → 10,10-dimethyl-9,10-dihydroanthracen-9-one (5447-86-9)

Guidance literature:

With bromine; In tetrachloromethane; for 6h; Heating; Irradiation;

upstream raw materials:

9-anthrol

methyl iodide

anthracen-9(10H)-one

9,10-Dihydro-10,10-dimethylanthracen

Downstream raw materials:

melitracen

10-p-Biphenyl-9,9-dimethyl-9,10-dihydroanthracen

2-(9,10-Dihydro-10,10-dimethyl-9-anthryl)-α,α-dimethyl-3-(1-methylethenyl)benzolmethanol

10-<2,6-Bis(1-methylethenyl)phenyl>-9,10-dihydro-9,9-dimethylanthracen

Refernces

• 1、 Wurche, Frank,Sicking, Wilhelm,Sustmann, Reiner,Klaerner, Frank-Gerrit,Ruechard, Christoph. "The effect of pressure on hydrogen transfer reactions with quinones". . p. 2707 - 2721. Retrieved 2007/10/03.
• 2、 Herberg, Clemens,Beckhaus, Hans-Dieter,Ruechardt, Christoph. "Thermolabile Hydrocarbons, 34. - Thermal Stability of 9,9'-Bixanthene and 9,9',10,10'-Tetrahydro-10,10,10',10'-tetramethyl-9,9'-bianthracene. - Stabilisation Energies of Planar Benzhydryl Radicals". . p. 2065 - 2072. Retrieved 2007/10/02.