1-Methyldibenzofuran

Base Information

• Chemical Name: 1-Methyldibenzofuran
• CAS No.: 7320-50-5
• Molecular Formula: C13H10 O
• Molecular Weight: 182.222
• European Community (EC) Number: 230-788-3
• UNII: 7I90PR1VKU
• DSSTox Substance ID: DTXSID00223439
• Nikkaji Number: J212.312F
• Wikidata: Q27268341
• Mol file: 7320-50-5.mol

Synonyms:1-Methyldibenzofuran;7320-50-5;Dibenzofuran, 1-methyl-;1-Methyldiphenylene oxide;UNII-7I90PR1VKU;7I90PR1VKU;EINECS 230-788-3;METHYLDIBENZOFURAN;1-methyldibenzo[b,d]furan;SCHEMBL4961160;DTXSID00223439;AKOS006278563;A849043;Q27268341;3-methyl-8-oxatricyclo[7.4.0.0?,?]trideca-1(9),2(7),3,5,10,12-hexaene

Chemical Property of 1-Methyldibenzofuran

Chemical Property:

• Vapor Pressure: 0.00144mmHg at 25°C
• Boiling Point: 306°C at 760 mmHg
• Flash Point: 146°C
• PSA: 13.14000
• Density: 1.162g/cm³
• LogP: 3.89440
• XLogP3: 4
• 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:

98%Min ^*data from raw suppliers

1-METHYLDIBENZOFURAN 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C3=CC=CC=C3OC2=CC=C1

Technology Process of 1-Methyldibenzofuran

There total 18 articles about 1-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: 37.0%

allyl 2-(3-methylphenoxy)benzoate (144463-69-4) → 3-methyldibenzo[b,d]furan (7320-52-7) + 1-methyl-dibenzofuran (7320-50-5)

Guidance literature:

for 1.5h; Title compound not separated from byproducts; Heating; pyrolysis;

DOI:10.1016/S0040-4020(01)90385-0

Reference yield: 31.0%

2-Allyloxy-benzoic acid o-tolyl ester (128916-11-0) → 1-methyl-dibenzofuran (7320-50-5)

Guidance literature:

at 650 ℃; under 0.001 Torr;

DOI:10.1039/c39900000395

Reference yield: 14.0%

2-hydroxy-2'-methyl-1,1'-biphenyl (77897-02-0) → 1-methyl-dibenzofuran (7320-50-5)

Guidance literature:

With 3-nitropyridine; tert-Butyl peroxybenzoate; palladium diacetate; In 1,3-dimethyl-2-imidazolidinone; Hexafluorobenzene; at 90 ℃; for 4h; Inert atmosphere;

DOI:10.1021/ol202229w

upstream raw materials:

methyl magnesium iodide

3,4,6,7,8,9-hexahydrodibenzo[b,d]furan-1(2H)-one

3,4-dihydrodibenzo[b,d]furan-1(2H)-one

2-Allyloxy-benzoic acid o-tolyl ester

Downstream raw materials:

Dibenzofuran-1-carboxylic acid

4-nitro-5-trans-styryl-thiophene-2-carboxylic acid methyl ester

Refernces

• 1、 Black, Michael,Cadogan,McNab, Hamish. "Formation of dibenzofurans by flash vacuum pyrolysis of aryl 2-(allyloxy)benzoates and related reactions". experimental part. p. 2961 - 2967. Retrieved 2010/09/06.
• 2、 Black, Michael,Cadogan, J. I. G.,McNab, Hamish. "A Short Synthesis of Dibenzofurans and Dibenzothiophenes". . p. 395 - 396. Retrieved 2007/10/02.