5-Methyl-1,3-diphenyl-2-benzofuran

Base Information

• Chemical Name: 5-Methyl-1,3-diphenyl-2-benzofuran
• CAS No.: 27720-46-3
• Molecular Formula: C21H16O
• Molecular Weight: 284.357
• DSSTox Substance ID: DTXSID20499058
• Wikidata: Q82349516
• Mol file: 27720-46-3.mol

Synonyms:27720-46-3;5-Methyl-1,3-diphenylisobenzofuran;5-Methyl-1,3-diphenyl-2-benzofuran;DTXSID20499058

Chemical Property of 5-Methyl-1,3-diphenyl-2-benzofuran

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 284.120115130
• Heavy Atom Count: 22
• Complexity: 353

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(OC(=C2C=C1)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 5-Methyl-1,3-diphenyl-2-benzofuran

There total 2 articles about 5-Methyl-1,3-diphenyl-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:

4-methylphthalic anhydride (19438-61-0) + phenylmagnesium bromide (100-58-3) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 5-methyl-1,3-diphenylisobenzofuran (27720-46-3)

Guidance literature:

4-methylphthalic anhydride; benzene; With aluminum (III) chloride; at 90 ℃; for 3h; Inert atmosphere; Schlenk technique;

With sodium tetrahydroborate; potassium hydroxide; In water; at 20 ℃; for 24.25h;

phenylmagnesium bromide; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; for 20.25h; Inert atmosphere; Schlenk technique;

DOI:10.1002/ejoc.201403315

Reference yield:

→ 5-methyl-1,3-diphenylisobenzofuran (27720-46-3)

Guidance literature:

1,2-Dibenzoyl-4-methylcyclohexa-1,4-dien (3), p-Toluolsulfonsaeure (Δ);

DOI:10.1021/jo00807a007

Reference yield: 87.0%

5-methyl-1,3-diphenylisobenzofuran (27720-46-3) → 1,2-dibenzoyl-4-methylbenzene

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1002/ejoc.201403315

upstream raw materials:

4-methylphthalic anhydride

phenylmagnesium bromide

benzene

Downstream raw materials:

(5Z,11Z)-8-methyl-6,11-diphenyldibenzo[b,f][1,4]diazocine

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