4,6-Dimethyldibenzofuran

Base Information

• Chemical Name: 4,6-Dimethyldibenzofuran
• CAS No.: 1136-77-2
• Molecular Formula: C14H12 O
• Molecular Weight: 196.249
• Hs Code.: 2932999099
• European Community (EC) Number: 214-500-3
• DSSTox Substance ID: DTXSID60921126
• Nikkaji Number: J203.385B
• Wikidata: Q82893881
• Mol file: 1136-77-2.mol

Synonyms:4,6-Dimethyldibenzofuran;1136-77-2;4,6-dimethyldibenzo[b,d]furan;EINECS 214-500-3;4,6-dimethyldibenzo[b]furan;SCHEMBL1611920;DTXSID60921126

Chemical Property of 4,6-Dimethyldibenzofuran

Chemical Property:

• Vapor Pressure: 0.000479mmHg at 25°C
• Boiling Point: 323.9°Cat760mmHg
• Flash Point: 156.5°C
• PSA: 13.14000
• Density: 1.134g/cm³
• LogP: 4.20280
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 196.088815002
• Heavy Atom Count: 15
• Complexity: 214

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)C3=CC=CC(=C3O2)C

Technology Process of 4,6-Dimethyldibenzofuran

There total 20 articles about 4,6-Dimethyldibenzofuran 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: 60.0%

2,2'-difluoro-3,3'-dimethyl-1,1'-biphenyl → 4,6-dimethyldibenzo[b,d]furan (1136-77-2)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; potassium tert-butylate; at 120 ℃; for 3h; Microwave irradiation;

DOI:10.1002/anie.202007427

Reference yield: 45.0%

dibenzofuran (132-64-9,214827-48-2) + methyl iodide (74-88-4) → 4,6-dimethyldibenzo[b,d]furan (1136-77-2)

Guidance literature:

dibenzofuran; With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; In diethyl ether; cyclohexane; at -78 - 20 ℃;

methyl iodide; In diethyl ether; cyclohexane; at 20 ℃; for 16h;

DOI:10.1002/chem.202000159

Reference yield: 40.0%

3,3'-dimethyl-[1,1'-biphenyl]-2,2'-diol (32750-14-4) → 4,6-dimethyldibenzo[b,d]furan (1136-77-2)

Guidance literature:

Nafion-H; In o-xylene; for 12h; Heating;

DOI:10.1021/jo00009a051

upstream raw materials:

dibenzofuran

dimethyl sulfate

3,3'-dimethyl-[1,1'-biphenyl]-2,2'-diol

methyl iodide

Refernces

• 1、 Gerdil,Lucken. "-". . p. 213,215. Retrieved 1965.
• 2、 Turcu, Andreea L.,Versini, Antoine,Khene, Nadjib,Gaillet, Christine,Ca?eque, Tatiana,Müller, Sebastian,Rodriguez, Rapha?l. "DMT1 Inhibitors Kill Cancer Stem Cells by Blocking Lysosomal Iron Translocation". supporting information. p. 7369 - 7373. Retrieved 2020/06/02.
• 3、 Manatschal, Cristina,Pujol-Giménez, Jonai,Poirier, Marion,Reymond, Jean-Louis,Hediger, Matthias A.,Dutzler, Raimund. "Mechanistic basis of the inhibition of slc11/nramp-mediated metal ion transport by bis-isothiourea substituted compounds". . . Retrieved 2020/01/13.