1,3-Diphenyl-1,3-dihydro-2-benzofuran

Base Information

• Chemical Name: 1,3-Diphenyl-1,3-dihydro-2-benzofuran
• CAS No.: 7111-67-3
• Molecular Formula: C20H16 O
• Molecular Weight: 272.346
• NSC Number: 135960
• DSSTox Substance ID: DTXSID50991419
• Nikkaji Number: J2.246.375F

Synonyms:7111-67-3;1,3-diphenyl-1,3-dihydro-2-benzofuran;NSC135960;SCHEMBL14064807;DTXSID50991419;NSC-135960

Chemical Property of 1,3-Diphenyl-1,3-dihydro-2-benzofuran

Chemical Property:

• Boiling Point: 414.4°Cat760mmHg
• Flash Point: 195°C
• Density: 1.144g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 272.120115130
• Heavy Atom Count: 21
• Complexity: 295

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2C3=CC=CC=C3C(O2)C4=CC=CC=C4

Technology Process of 1,3-Diphenyl-1,3-dihydro-2-benzofuran

There total 17 articles about 1,3-Diphenyl-1,3-dihydro-2-benzofuran 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: 84.0%

α,α'-diphenylphthalyl alcohol (42908-58-7) → 1,3-diphenyl-1,3-dihydroisobenzofuran (7111-67-3)

Guidance literature:

With zinc dibromide; In dichloromethane; at 20 ℃; for 12h; Reagent/catalyst; Inert atmosphere;

DOI:10.1002/ejoc.201501087

Reference yield:

1,3-dihydro-1,3-diphenyl-isobenzofuran (21596-49-6) → 1,3-diphenylisobenzofuran (5471-63-6) + 1,3-dihydro-1,3-diphenyl-isobenzofuran (7111-67-3,21596-48-5,21596-49-6,74563-19-2) + o-dibenzoylbenzene (1159-86-0)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; for 17h; Yield given. Yields of byproduct given; Heating;

DOI:10.1021/jo01308a006

Reference yield:

acetic acid [2-(acetoxy-phenyl-methyl)phenyl]-phenyl-methyl ester (113650-27-4) → 9-phenylanthracene (602-55-1) + 1,3-diphenyl-1,3-dihydroisobenzofuran (7111-67-3)

Guidance literature:

With trifluorormethanesulfonic acid; In dichloromethane; at 20 ℃; for 0.0166667h;

DOI:10.1021/jo7017334

upstream raw materials:

α,α'-diphenylphthalyl alcohol

phenylmagnesium iodide

o-phthalic dicarboxaldehyde

1,3-diphenylisobenzofuran

Downstream raw materials:

2,3:10,11-dibenzo-1,4:9,12-diepoxy-1,4:9,12-dihydro-1,4:9,12-diphenyltribenzocyclooctene

1,8-Diphenyl-9-phenylselanyl-11-oxa-tricyclo[6.2.1.0^2,7]undeca-2⁽⁷⁾,3,5-triene

C₂₇H₂₂N₂O₂

5,6-didehydro-10-methylbenzocyclooctene DIB adduct

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