3-Methyldibenzofuran

Base Information

• Chemical Name: 3-Methyldibenzofuran
• CAS No.: 7320-52-7
• Molecular Formula: C13H10 O
• Molecular Weight: 182.222
• European Community (EC) Number: 230-790-4
• UNII: 1MVP2O51LO
• DSSTox Substance ID: DTXSID80993921
• Nikkaji Number: J212.314B
• Wikidata: Q27252624
• Mol file: 7320-52-7.mol

Synonyms:3-Methyldibenzofuran;7320-52-7;UNII-1MVP2O51LO;1MVP2O51LO;EINECS 230-790-4;3-Methyldibenzo[b,d]furan;Dibenzofuran, 3-methyl-;SCHEMBL2628334;DTXSID80993921;FT-0699306;Q27252624

Chemical Property of 3-Methyldibenzofuran

Chemical Property:

• PSA: 13.14000
• LogP: 3.89440
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 182.073164938
• Heavy Atom Count: 14
• Complexity: 213

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(C=C1)C3=CC=CC=C3O2

Technology Process of 3-Methyldibenzofuran

There total 34 articles about 3-Methyldibenzofuran 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-methyldibenzo[b,d]iodol-5-ium trifluoromethanesulfonate → 3-methyldibenzo[b,d]furan (7320-52-7)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; potassium carbonate; In water; at 100 ℃; for 24h;

Reference yield: 88.0%

3-methyl-10H-dibenzo[b,e][1,4]oxaborinin-10-ol → 3-methyldibenzo[b,d]furan (7320-52-7)

Guidance literature:

With iodine; palladium diacetate; potassium carbonate; In acetonitrile; at 20 - 80 ℃; for 12h; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1002/adsc.201300567

Reference yield: 82.0%

1-Bromo-2-iodobenzene (583-55-1) + 6-diazo-3-methyl-2-cyclohexen-1-one (1421367-18-1) → 3-methyldibenzo[b,d]furan (7320-52-7)

Guidance literature:

1-Bromo-2-iodobenzene; 6-diazo-3-methyl-2-cyclohexen-1-one; With potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; at 70 ℃; for 12h; Inert atmosphere;

With copper(I) oxide; In 1,4-dioxane; at 70 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b02783

upstream raw materials:

potassium 2-chlorobenzoate

3-methyl-1,2,3,4-tetrahydro-dibenzofuran

7-methyl-dibenzofuran-3-carboxylic acid

8-methyl-11H-dibenzo<1,4>dioxepin-11-one

Downstream raw materials:

dibenzo[b,d]furan-3-carboxylic acid