1,4-Diphenoxybenzene

Base Information

• Chemical Name: 1,4-Diphenoxybenzene
• CAS No.: 3061-36-7
• Molecular Formula: C18H14O2
• Molecular Weight: 262.308
• Hs Code.: 29029090
• DSSTox Substance ID: DTXSID2062820
• Nikkaji Number: J104.976C
• Wikidata: Q27119799
• Metabolomics Workbench ID: 56214
• Mol file: 3061-36-7.mol

Synonyms:1,4-Diphenoxybenzene;3061-36-7;Benzene, 1,4-diphenoxy-;Hydroquinone diphenyl ether;p-Diphenoxybenzene;4-Phenoxydiphenyl oxide;p-Phenoxyphenoxybenzene;Benzene, p-diphenoxy-;MFCD00038368;1,1'-[1,4-phenylenebis(oxy)]dibenzene;Oprea1_734594;SCHEMBL122719;DTXSID2062820;CHEBI:39271;AC7807;AKOS015899526;AC-10059;AS-57929;SY033866;D2017;FT-0606900;A820456;J-018037;Q27119799

Chemical Property of 1,4-Diphenoxybenzene

Chemical Property:

• Appearance/Colour: off-white to light brown flakes or pellets
• Vapor Pressure: 2.3E-05mmHg at 25°C
• Melting Point: 73-77 °C
• Refractive Index: 1.602
• Boiling Point: 370.839 °C at 760 mmHg
• Flash Point: 143.808 °C
• PSA: 18.46000
• Density: 1.137 g/cm³
• LogP: 5.27120
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 262.099379685
• Heavy Atom Count: 20
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

1,4-Diphenoxybenzene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC=CC=C3

Technology Process of 1,4-Diphenoxybenzene

There total 17 articles about 1,4-Diphenoxybenzene 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: 99.0%

para-diiodobenzene (624-38-4,1032416-46-8) + phenol (108-95-2,27073-41-2) → 1,4-diphenoxybenzene (3061-36-7)

Guidance literature:

With copper(l) iodide; iron(III)-acetylacetonate; potassium carbonate; In dimethyl sulfoxide; at 140 ℃; for 48h; Inert atmosphere;

DOI:10.1039/c1ob05155e

Reference yield: 89.0%

4-Bromodiphenyl ether (101-55-3) + phenol (108-95-2,27073-41-2) → 1,4-diphenoxybenzene (3061-36-7)

Guidance literature:

With potassium carbonate; at 120 ℃; for 15h;

DOI:10.1039/c4ra06486k

Reference yield: 82.0%

1,4-bis((η6-phenoxy-η5-cyclopentadienyl)iron)benzene hexafluorophosphate → ferrocene (102-54-5,55404-68-7) + 1,4-diphenoxybenzene (3061-36-7)

Guidance literature:

In dichloromethane; acetonitrile; Irradiation (UV/VIS); addn. of diiron-complex dissolved in CH2Cl2/CH3CN to a photolysis tube, purging with N2 for 30 min, irradiation under intense visible light (Xenon lamp) for 4 h; concn. by evapn. under reduced pressure, column chromy., elution (hexane) gives yellow band of ferrocene, elution (hexane/CHCl3) gives benzene-compd., evapn. to dryness, elem. anal.;

DOI:10.1021/om00013a055

upstream raw materials:

bromochlorobenzene

potassium phenolate

1.4-dibromobenzene

4-Bromodiphenyl ether

Downstream raw materials:

Benzo<1,2-b:4,3-b'>bisbenzofuran

Benzo<1,2-b:4,5-b'>bisbenzofuran

2-Phenoxydibenzofuran

diphenylether

Refernces

• 1、 Okazaki, Takao,Nakagawa, Madoka,Futemma, Takeshi,Kitagawa, Toshikazu. "NMR and DFT studies on persistent carbocations derived from benzo[kl]xanthene, dibenzo[d,d′]benzo[1,2-b:4,3-b′]difuran, and dibenzo[d,d′]benzo[1,2-b:4,5-b′]difuran in superacidic media". . p. 107 - 111. Retrieved 2016/02/03.
• 2、 Qu, Xiaoming,Li, Tingyi,Zhu, Yan,Sun, Peng,Yang, Hailong,Mao, Jincheng. "Ligand-free highly effective iron/copper co-catalyzed formation of dimeric aryl ethers or sulfides". supporting information; experimental part. p. 5043 - 5046. Retrieved 2011/08/22.