1,4-Dibenzoylbenzene

Base Information

• Chemical Name: 1,4-Dibenzoylbenzene
• CAS No.: 3016-97-5
• Molecular Formula: C20H14O2
• Molecular Weight: 286.33
• Hs Code.: 2914399090
• European Community (EC) Number: 221-155-2
• NSC Number: 631643
• DSSTox Substance ID: DTXSID70184245
• Nikkaji Number: J124.950I
• Wikidata: Q83055145
• Mol file: 3016-97-5.mol

Synonyms:1,4-Dibenzoylbenzene;3016-97-5;1,4-Phenylenebis(phenylmethanone);(4-benzoylphenyl)-phenylmethanone;Methanone, 1,4-phenylenebis[phenyl-;p-Dibenzoylbenzene;4-Benzoylbenzophenone;(4-benzoylphenyl)(phenyl)methanone;NSC631643;EINECS 221-155-2;MFCD00014087;Methanone, 1,4-phenylenebis(phenyl-;TimTec1_004772;Oprea1_067070;1,4-Dibenzoylbenzene, 99%;SCHEMBL314267;DTXSID70184245;HMS1547I20;(4-benzoylphenyl)-phenyl-methanone;AMY38649;(4-Benzoyl-phenyl)-phenyl-methanone;Methanone, 1,4-phenylenebis*phenyl-;STK700910;benzene-1,4-diylbis(phenylmethanone);AKOS001736089;CS-W014558;NSC-631643;AS-61259;SY048398;D4196;FT-0606840;D83404;A876269;SR-01000539208;J-017808;SR-01000539208-1

Chemical Property of 1,4-Dibenzoylbenzene

Chemical Property:

• Vapor Pressure: 1.52E-08mmHg at 25°C
• Melting Point: 163-166 °C(lit.)
• Refractive Index: 1.615
• Boiling Point: 457.2 °C at 760 mmHg
• Flash Point: 170.2 °C
• PSA: 34.14000
• Density: 1.165 g/cm³
• LogP: 4.14860
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 286.099379685
• Heavy Atom Count: 22
• Complexity: 343

Purity/Quality:

98% ^*data from raw suppliers

1,4-Dibenzoylbenzene ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Technology Process of 1,4-Dibenzoylbenzene

There total 77 articles about 1,4-Dibenzoylbenzene 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%

terephthaloyl chloride (100-20-9) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1,4-dibenzoylbenzene (3016-97-5)

Guidance literature:

With aluminium trichloride;

DOI:10.1016/j.saa.2006.05.016

Reference yield: 90.0%

(4-bromophenyl)(phenyl)methanone (90-90-4) + benzaldehyde (100-52-7) → 1,4-dibenzoylbenzene (3016-97-5) + (4-(hydroxy(phenyl)methyl)phenyl)(phenyl)methanone (31020-20-9)

Guidance literature:

With nickel(II) bromide dimethoxyethane; zinc; 1,2-bis-[(2,6-diisopropylphenyl)imino]acenaphthene; In tetrahydrofuran; at 70 ℃; for 24h;

DOI:10.1007/s11172-016-1321-3

Reference yield: 86.0%

1,4-bis(1-phenylvinyl)benzene (1605-19-2) → 1,4-dibenzoylbenzene (3016-97-5)

Guidance literature:

With iron(III) chloride; potassium sulfide; oxygen; In N,N-dimethyl-formamide; at 80 ℃; for 14h; under 760.051 Torr;

DOI:10.1021/acs.orglett.1c01408

upstream raw materials:

1,4-dibenzylbenzene

(4-benzylphenyl)(phenyl)methanone

2,5-dibenzoylterephthalic acid

4-benzhydrylbenzophenone

Downstream raw materials:

1,4-bis(1-phenylvinyl)benzene

1,4-bis(diphenylhydroxymethyl)benzene

α,α'-diphenyl-1,4-benzenedimethanol

1,4-bis-(α,α-dichloro-benzyl)-benzene

Refernces

• 1、 Ai, Jing-Jing,Huang, Cheng-Mi,Li, Jian,Liu, Bei-Bei,Rao, Weidong,Wang, Fei,Wang, Shun-Yi. "Fe-S Catalyst Generated in Situ from Fe(III)- And S3?--Promoted Aerobic Oxidation of Terminal Alkenes". supporting information. p. 4705 - 4709. Retrieved 2021/06/28.
• 2、 Zhu, Zhuangli,Wang, Zhenhua,Jian, Yajun,Sun, Huaming,Zhang, Guofang,Lynam, Jason M.,McElroy, C. Robert,Burden, Thomas J.,Inight, Rebecca L.,Fairlamb, Ian J. S.,Zhang, Weiqiang,Gao, Ziwei. "Pd-Catalysed carbonylative Suzuki-Miyaura cross-couplings using Fe(CO)5under mild conditions: generation of a highly active, recyclable and scalable ‘Pd-Fe’ nanocatalyst". supporting information. p. 920 - 926. Retrieved 2021/02/09.