9-Benzoylanthracene

Base Information

• Chemical Name: 9-Benzoylanthracene
• CAS No.: 1564-53-0
• Molecular Formula: C21H14 O
• Molecular Weight: 282.342
• Hs Code.: 2914399090
• European Community (EC) Number: 633-873-7
• NSC Number: 97593
• DSSTox Substance ID: DTXSID10166080
• Nikkaji Number: J80.233F
• Wikidata: Q83035322
• Mol file: 1564-53-0.mol

Synonyms:9-Benzoylanthracene;1564-53-0;anthracen-9-yl(phenyl)methanone;9-Anthracenyl phenyl ketone;Ketone, 9-anthracenyl phenyl;Methanone, 9-anthracenylphenyl-;Phenyl(9-anthryl) ketone;BRN 2053489;4-07-00-01884 (Beilstein Handbook Reference);BIDD:GT0389;9-Anthryl(phenyl)methanone;9-Anthryl(phenyl)methanone #;SCHEMBL212463;DTXSID10166080;NSC97593;NSC 97593;NSC-97593;AKOS024335008;LS-87038

Chemical Property of 9-Benzoylanthracene

Chemical Property:

• Vapor Pressure: 1.38E-09mmHg at 25°C
• Melting Point: 148 °C
• Refractive Index: 1.4880 (estimate)
• Boiling Point: 485.7°C at 760 mmHg
• Flash Point: 216°C
• PSA: 17.07000
• Density: 1.197g/cm³
• LogP: 5.22400
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 282.104465066
• Heavy Atom Count: 22
• Complexity: 373

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

Technology Process of 9-Benzoylanthracene

There total 13 articles about 9-Benzoylanthracene 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%

anthracene (120-12-7) + benzoyl chloride (98-88-4) → 9-benzoylanthracene (1564-53-0)

Guidance literature:

With polystyrene supported aluminium triflate; In 1,2-dichloro-ethane; at 20 ℃; for 2.1h; regioselective reaction;

DOI:10.5012/bkcs.2010.31.11.3156

Reference yield: 88.0%

anthracene (120-12-7) + benzoic acid (65-85-0,8013-63-6) → 9-benzoylanthracene (1564-53-0)

Guidance literature:

With silica gel supported aluminium trichloride; In 1,2-dichloro-ethane; at 80 ℃; for 2.7h; regioselective reaction;

DOI:10.3906/kim-0912-359

Reference yield: 88.0%

anthracene (120-12-7) + phenyl selenobenzoate (38447-68-6) → 9-benzoylanthracene (1564-53-0)

Guidance literature:

With 9,10-dimethoxyanthracene; In acetonitrile; at 20 ℃; Inert atmosphere; Irradiation;

DOI:10.1039/c7cc07529d

upstream raw materials:

anthracene

benzoyl chloride

benzoic acid anhydride

benzoic acid

Downstream raw materials:

9,10-Dibenzoylanthracene

9,10-bis(phenylhydroxymethyl)anthracene

9-(α-Acetoxybenzylidene)-9,10-dihydroanthracene

(9,10-dihydro-[9]anthryl)-phenyl ketone oxime

Refernces

• 1、 Rajagopal, Shinaj K.,Nagaraj,Deb, Somadrita,Bhat, Vinayak,Sasikumar, Devika,Sebastian, Ebin,Hariharan, Mahesh. "Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation". . p. 19120 - 19128. Retrieved 2018/08/07.
• 2、 Pandey, Ganesh,Tiwari, Sandip Kumar,Singh, Bhawana,Vanka, Kumar,Jain, Shailja. "P -Selective (sp2)-C-H functionalization for an acylation/alkylation reaction using organic photoredox catalysis". supporting information. p. 12337 - 12340. Retrieved 2017/11/20.