1-Phenyldibenzofuran

Base Information

• Chemical Name: 1-Phenyldibenzofuran
• CAS No.: 63317-69-1
• Molecular Formula: C18H12O
• Molecular Weight: 244.293
• DSSTox Substance ID: DTXSID40423759
• Nikkaji Number: J1.378.646A
• Wikidata: Q82236036
• ChEMBL ID: CHEMBL4063248
• Mol file: 63317-69-1.mol

Synonyms:1-Phenyldibenzofuran;63317-69-1;Dibenzofuran, 1-phenyl-;1-Phenyldibenzo[b,d]furan;phenyldibenzofuran;SCHEMBL997084;CHEMBL4063248;DTXSID40423759;PABWCQBWXPHCBX-UHFFFAOYSA-N

Chemical Property of 1-Phenyldibenzofuran

Chemical Property:

• PSA: 13.14000
• LogP: 5.25300
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 244.088815002
• Heavy Atom Count: 19
• Complexity: 307

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C3C4=CC=CC=C4OC3=CC=C2

Technology Process of 1-Phenyldibenzofuran

There total 19 articles about 1-Phenyldibenzofuran 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: 89.0%

2-iodo-3'-phenoxybiphenyl (607731-69-1) → 1-phenyldibenzo[b,d]furan (63317-69-1)

Guidance literature:

With palladium diacetate; cesium pivalate; bis-diphenylphosphinomethane; In N,N-dimethyl-formamide; at 100 ℃; for 24h;

DOI:10.1021/ja035121o

Reference yield: 88.0%

2-iodo-5-phenoxy-1,1'-biphenyl (607731-75-9) → 1-phenyldibenzo[b,d]furan (63317-69-1)

Guidance literature:

With palladium diacetate; cesium pivalate; bis-diphenylphosphinomethane; tetrabutyl ammonium fluoride; In N,N-dimethyl-formamide; at 100 ℃; for 24h;

DOI:10.1021/ja035121o

Reference yield: 68.0%

trifluoro-methanesulfonic acid dibenzofuran-1-yl ester + phenylboronic acid (98-80-6) → 1-phenyldibenzo[b,d]furan (63317-69-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; water; toluene; at 70 ℃; for 18h; Inert atmosphere;

DOI:10.1016/j.bmcl.2017.05.080

upstream raw materials:

2-iodo-5-phenoxy-1,1'-biphenyl

2-iodo-3'-phenoxybiphenyl

3-methoxyphenyl bromide

1-Bromo-2-iodobenzene