4,7-Diphenylisobenzofuran-1(3H)-one

Base Information

• Chemical Name: 4,7-Diphenylisobenzofuran-1(3H)-one
• CAS No.: 54537-52-9
• Molecular Formula: C₂₀H₁₄O₂
• Molecular Weight: 286.33
• DSSTox Substance ID: DTXSID601292541
• Nikkaji Number: J888.999F

Synonyms:DTXSID601292541;4,7-Diphenyl-1(3H)-isobenzofuranone;4,7-Diphenylisobenzofuran-1(3H)-one;54537-52-9

Chemical Property of 4,7-Diphenylisobenzofuran-1(3H)-one

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 286.099379685
• Heavy Atom Count: 22
• Complexity: 393

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2=C(C=CC(=C2C(=O)O1)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 4,7-Diphenylisobenzofuran-1(3H)-one

There total 8 articles about 4,7-Diphenylisobenzofuran-1(3H)-one 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: 89.0%

4,7-diphenyl-2-benzofuran-1,3-dione (1162-64-7) → 4,7-diphenylphthalide (54537-52-9)

Guidance literature:

With acetic acid; zinc; at 100 ℃; for 17h;

DOI:10.1021/jo062675b

Reference yield: 36.0%

(4R,7R)-4,7-Diphenyl-4,7-dihydro-3H-isobenzofuran-1-one → 4,7-diphenylphthalide (54537-52-9) + (1R,3aR)-1,3a-Diphenyl-1a,3a-dihydro-1H-5-oxa-cyclopropa[c]pentalen-4-one + (3aR,6S)-3a,6-Diphenyl-3b,6-dihydro-3aH-2-oxa-cyclopropadicyclopenten-3-one + (3aR,6S)-3a,6-Diphenyl-3,3a,3b,6-tetrahydro-2-oxa-cyclopropadicyclopenten-1-one

Guidance literature:

In methanol; for 9h; Further byproducts given; Irradiation;

DOI:10.1039/a702108i

Reference yield: 28.0%

(4S,7R)-4,7-Diphenyl-4,7-dihydro-3H-isobenzofuran-1-one → 4,7-diphenylphthalide (54537-52-9) + (1R,3aR)-1,3a-Diphenyl-1a,3a-dihydro-1H-5-oxa-cyclopropa[c]pentalen-4-one + (3aR,6R)-3a,6-Diphenyl-3b,6-dihydro-3aH-2-oxa-cyclopropadicyclopenten-3-one + (3aR,6R)-3a,6-Diphenyl-3,3a,3b,6-tetrahydro-2-oxa-cyclopropadicyclopenten-1-one

Guidance literature:

In methanol; for 9h; Further byproducts given; Irradiation;

DOI:10.1039/a702108i

upstream raw materials:

4,7-diphenyl-2-benzofuran-1,3-dione

trans,trans-1,4-Diphenyl-1,3-butadiene

4,7-diphenyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione

Downstream raw materials:

1-Benzyl-1-hydroxy-4,7-diphenylphthalan

5,8-diphenylnaphthalene-2,3-dicarboxylic anhydride

1,3,5,8-tetraphenyl-1,3-dihydro-naphtho[2,3-c]furan-1-ol

3-benzoyl-5,8-diphenylnaphthalene-2-carboxylic acid

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