5,6-Dimethyl-1,3-diphenyl-2-benzofuran

Base Information

• Chemical Name: 5,6-Dimethyl-1,3-diphenyl-2-benzofuran
• CAS No.: 27720-47-4
• Molecular Formula: C22H18 O
• Molecular Weight: 298.3777
• NSC Number: 159542
• DSSTox Substance ID: DTXSID20303646
• Wikidata: Q82049029
• Mol file: 27720-47-4.mol

Synonyms:5,6-dimethyl-1,3-diphenyl-2-benzofuran;27720-47-4;5,6-Dimethyl-1,3-diphenylisobenzofuran;NSC159542;SCHEMBL11311750;DTXSID20303646;LBASRTOKVSTSJC-UHFFFAOYSA-N;NSC-159542;Isobenzofuran, 5,6-dimethyl-1,3-diphenyl-

Chemical Property of 5,6-Dimethyl-1,3-diphenyl-2-benzofuran

Chemical Property:

• Vapor Pressure: 1.54E-08mmHg at 25°C
• Boiling Point: 469.5°Cat760mmHg
• Flash Point: 246.1°C
• Density: 1.107g/cm³
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 298.135765193
• Heavy Atom Count: 23
• Complexity: 343

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(OC(=C2C=C1C)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 5,6-Dimethyl-1,3-diphenyl-2-benzofuran

There total 8 articles about 5,6-Dimethyl-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: 86.0%

1,2-dibenzoyl-4,5-dimethyl-benzene (52044-75-4) → 5,6-dimethyl-1,3-diphenyl-isobenzofuran (27720-47-4)

Guidance literature:

With potassium borohydride; In methanol;

DOI:10.1016/0040-4020(82)80224-X

Reference yield:

1,3-diphenyl-5,6-dimethyl-4,7-dihydroisobenzofuran (5452-32-4) → 5,6-dimethyl-1,3-diphenyl-isobenzofuran (27720-47-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂; aq. NaOAc / acetic acid

2: Zn; NaOH / ethanol

With sodium hydroxide; bromine; sodium acetate; zinc; In ethanol; acetic acid;

DOI:10.1021/jp012012s

Reference yield:

(+/-)-5r,6t-dibromo-5,6c-dimethyl-1,3-diphenyl-4,5,6,7-tetrahydro-isobenzofuran → 5,6-dimethyl-1,3-diphenyl-isobenzofuran (27720-47-4)

Guidance literature:

With sodium acetate; acetic anhydride; acetic acid;

DOI:10.1021/ja01858a012

upstream raw materials:

1,2-dibenzoyl-4,5-dimethyl-benzene

sodium acetate

acetic anhydride

acetic acid

Downstream raw materials:

6,7-dimethyl-2-nitro-1,3,4-triphenyl-1,2,3,4-tetrahydro-1,4-epoxido-naphthalene

C₃₂H₃₀O₆

9,10-bis-bromomethyl-7,12-diphenyl-benzo[k]fluoranthene

6,7-dimethyl-1,3,4-triphenyl-[2]naphthylamine

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