1,3-Diphenoxybenzene

Base Information

• Chemical Name: 1,3-Diphenoxybenzene
• CAS No.: 3379-38-2
• Molecular Formula: C18H14O2
• Molecular Weight: 262.308
• Hs Code.: 29093090
• European Community (EC) Number: 222-181-7
• DSSTox Substance ID: DTXSID2063004
• Nikkaji Number: J104.975E
• Wikidata: Q27119800
• Metabolomics Workbench ID: 56215
• Mol file: 3379-38-2.mol

Synonyms:1,3-Diphenoxybenzene;3379-38-2;Benzene, 1,3-diphenoxy-;m-Diphenoxybenzene;m-Diphenyloxybenzene;m-Phenoxyphenoxybenzene;Benzene, m-diphenoxy-;Resorcinol diphenyl ether;EINECS 222-181-7;1,1'-[1,3-phenylenebis(oxy)]dibenzene;m-Diphenoxybenzol;1,3-Diphenoxybenzene #;ChemDiv3_000025;m-3F2E;Oprea1_267541;SCHEMBL22559;1,3-Benzenediol Diphenyl Ether;DTXSID2063004;CHEBI:39273;1,3-Diphenoxybenzene, >=99%;HMS1473B03;BBL103118;MFCD00003036;STL556928;AKOS015889121;IDI1_019343;NCGC00176871-01;AS-57360;CS-0156090;D2662;EU-0033621;FT-0606706;D83396;SR-01000390644;J-019324;SR-01000390644-1;BRD-K60305584-001-01-7;Q27119800;F0348-3117

Chemical Property of 1,3-Diphenoxybenzene

Chemical Property:

• Appearance/Colour: white crystals or crystalline powder
• Vapor Pressure: 1.82E-05mmHg at 25°C
• Melting Point: 59-61 °C(lit.)
• Refractive Index: 1.602
• Boiling Point: 374.2 °C at 760 mmHg
• Flash Point: 145.8 °C
• PSA: 18.46000
• Density: 1.137 g/cm³
• LogP: 5.27120
• Storage Temp.: Sealed in dry,Room Temperature
• 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: 241

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Diphenoxybenzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Aromatic Compounds
• Canonical SMILES: C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC=CC=C3
• Uses: 1,3-Diphenoxybenzene was used:as internal standard during solid-phase extraction and gas chromatography coupled mass spectrometry in the selective ion monitoring (SIM) mode for the multi-class determination of pesticidesin the synthesis of new carboxylate ligands for simulation of binuclear active centres of nonheme oxygenases

Technology Process of 1,3-Diphenoxybenzene

There total 8 articles about 1,3-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: 94.0%

1,3-Diiodobenzene (626-00-6) + phenol (108-95-2,27073-41-2) → 1,3-diphenoxybenzene (3379-38-2)

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: 94.0%

1,3-bis((η6-phenoxy-η5-cyclopentadienyl)iron)benzene hexafluorophosphate → ferrocene (102-54-5,55404-68-7) + 1,3-diphenoxybenzene (3379-38-2)

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

Reference yield: 84.0%

iodobenzene (591-50-4) + recorcinol (108-46-3) → 1,3-diphenoxybenzene (3379-38-2)

Guidance literature:

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

DOI:10.1039/c1ob05155e

upstream raw materials:

1,3-dibromobenzene

phenol

potassium phenolate

iodobenzene

Downstream raw materials:

4-Oxo-4-[4-(3-phenoxy-phenoxy)-phenyl]-butyric acid

N-phenyl-2-cyclohexylamine

benzene

4-Phenoxyphenol

Refernces

• 1、 Song, Dongdong,Yu, Yue,Yue, Ling,Zhong, Daokun,Zhang, Yindi,Yang, Xiaolong,Sun, Yuanhui,Zhou, Guijiang,Wu, Zhaoxin. "Asymmetric thermally activated delayed fluorescence (TADF) emitters with 5,9-dioxa-13: B -boranaphtho[3,2,1- de] anthracene (OBA) as the acceptor and highly efficient blue-emitting OLEDs". supporting information. p. 11953 - 11963. Retrieved 2019/10/16.
• 2、 -. "FLAME RETARDANT HALOGENATED PHENYL ETHERS". Page/Page column 13. . Retrieved 2011/08/08.