1,3-Diphenylisobenzofuran

Base Information

• Chemical Name: 1,3-Diphenylisobenzofuran
• CAS No.: 5471-63-6
• Molecular Formula: C20H14O
• Molecular Weight: 270.331
• Hs Code.: 29329990
• European Community (EC) Number: 226-808-5
• NSC Number: 28407
• UNII: OQ2CY31MDT
• DSSTox Substance ID: DTXSID40203179
• Nikkaji Number: J147.222D
• Wikipedia: 1,3-Diphenylisobenzofuran
• Wikidata: Q42750891
• Mol file: 5471-63-6.mol

Synonyms:1,3-diphenylisobenzofuran;1,3-DPBF

Chemical Property of 1,3-Diphenylisobenzofuran

Chemical Property:

• Appearance/Colour: yellow to greenish needle-like crystalline solid
• Melting Point: 128-130 °C(lit.)
• Refractive Index: 1.67
• Boiling Point: 437.5 °C at 760 mmHg
• Flash Point: 226.7 °C
• Density: 1.141 g/cm³
• Storage Temp.: 0-6°C
• Sensitive.: Air & Light Sensitive
• Water Solubility.: Soluble in toluene. Insoluble in water.
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 270.104465066
• Heavy Atom Count: 21
• Complexity: 295

Purity/Quality:

99%, ^*data from raw suppliers

1,3-Diphenylisobenzofuran ^*data from reagent suppliers

Safty Information:

• Statements: 22-24/25
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C3C=CC=CC3=C(O2)C4=CC=CC=C4
• Uses: 1,3-Diphenylisobenzofuran is a useful research chemical. 1,3-Diphenylisobenzofuran(DPBF) was used as a fluorescent probe for detection of superoxide anion radical (O2?) inside the membrane lipid layer by DPBF fluorescence quenching method. 1,3-Diphenylisobenzofuran(DPBF) was used as quencher during the photoinactivation of TA-3 mouse mammary carcinoma cells containing hematoporphyrin. 1,3-Diphenylisobenzofuran(DPBF) was used to study the single crystal molecular structure and solution photophysical properties of DPBF.

Technology Process of 1,3-Diphenylisobenzofuran

There total 74 articles about 1,3-Diphenylisobenzofuran 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%

3-phenylphthalide (5398-11-8) + phenylmagnesium bromide (100-58-3) → 1,3-diphenylisobenzofuran (5471-63-6)

Guidance literature:

3-phenylphthalide; phenylmagnesium bromide; at -40 - 0 ℃;

With trifluoroacetic acid;

DOI:10.1246/cl.130398

Reference yield: 93.0%

N-(diphenylmethylidene)phenylamine (574-45-8) + benzaldehyde (100-52-7) → 1,3-diphenylisobenzofuran (5471-63-6)

Guidance literature:

With 4 Angstroem MS; bromotricarbonyl(tetrahydrofuran)rhenium(I) dimer; In toluene; at 115 ℃; for 24h;

DOI:10.1021/ja065643e

Reference yield: 91.0%

benzhydrylidene-benzyl-amine (7699-79-8) + benzaldehyde (100-52-7) → 1,3-diphenylisobenzofuran (5471-63-6)

Guidance literature:

With 4 Angstroem MS; bromotricarbonyl(tetrahydrofuran)rhenium(I) dimer; In toluene; at 115 ℃; for 24h;

DOI:10.1021/ja065643e

upstream raw materials:

3-methyl-1,4-diphenyl-1,2,3,4-tetrahydro-1,4-epoxido-naphthalene-2-carboxylic acid

1-(2'-benzoylphenyl)-2-phenylethane-1,2-dione

3-methyl-1,4-diphenyl-1,2,3,4-tetrahydro-1,4-epoxido-naphthalene-2-carboxylic acid ethyl ester

2-nitro-1,4-diphenyl-1,2,3,4-tetrahydro-1,4-epoxido-naphthalene

Downstream raw materials:

2,4,9-triphenyl-3a,4,9,9a-tetrahydro-4,9-epioxido-benzo[f]isoindole-1,3-dione

2,4,9-triphenyl-(3ac,9ac)-3a,4,9,9a-tetrahydro-4r,9c-epioxido-benzo[f]isoindole-1,3-dione

4,9-diphenyl-2-p-tolyl-3a,4,9,9a-tetrahydro-4,9-epioxido-benzo[f]isoindole-1,3-dione

2-(2-phenyl-benzo[h][1,3]dioxolo[4,5-f]quinolin-2-yl)-benzophenone

Refernces

From cages to wedges and clefts: Design of some novel hosts based on cis,syn,cis-triquinane framework

10.1016/S0040-4039(01)93382-9

The study explores the creation of potential host systems through the annulation of aromatic rings on the cis,syn,cis-triquinane backbone. The researchers used chemicals such as diphenylisobenzofuran for cycloaddition reactions and sulfuric acid for aromatisation processes to transform the triquinane bis-enone into compounds with bis-naphthoannulation. The resulting compounds, designated as 4 and 5, were characterised by their crystal structures, with compound 5 showing a molecular cleft featuring a lipophilic posterior and carbonyl recognition sites. The study highlights the design and synthesis of these novel host systems, which could have applications in molecular recognition and binding studies.

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