3-Iodo-2-phenyl-benzofuran

Base Information

• Chemical Name: 3-Iodo-2-phenyl-benzofuran
• CAS No.: 246230-86-4
• Molecular Formula: C14H9 I O
• Molecular Weight: 320.129
• DSSTox Substance ID: DTXSID20452784
• Nikkaji Number: J1.219.388B
• Wikidata: Q82273611
• ChEMBL ID: CHEMBL1643178
• Mol file: 246230-86-4.mol

Synonyms:3-iodo-2-phenyl-benzofuran;246230-86-4;Benzofuran, 3-iodo-2-phenyl-;3-IODO-2-PHENYL-1-BENZOFURAN;3-Iodo-2-phenylbenzofuran;2-Phenyl-3-iodobenzofuran;CHEMBL1643178;RYBYQJBZNPJMBB-UHFFFAOYSA-;DTXSID20452784;AS-80735;E77579;InChI=1/C14H9IO/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H

Chemical Property of 3-Iodo-2-phenyl-benzofuran

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.688
• Boiling Point: 391.3°Cat760mmHg
• Flash Point: 190.5°C
• PSA: 13.14000
• Density: 1.652g/cm³
• LogP: 4.70440
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 319.96981
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

3-IODO-2-PHENYL-BENZOFURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3O2)I

Technology Process of 3-Iodo-2-phenyl-benzofuran

There total 11 articles about 3-Iodo-2-phenyl-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: 100.0%

acetaldehyde ethyl 2-(phenylethynyl)phenyl acetal → 3-iodo-2-phenylbenzo[b]furan (246230-86-4)

Guidance literature:

With boron trifluoride diethyl etherate; bis(2,4,6-trimethylpyridine)iodine(I) hexafluorophosphate; In dichloromethane; at 20 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1021/ol8020463

Reference yield: 98.0%

2-phenylethynylanisole (41398-67-8) → 3-iodo-2-phenylbenzo[b]furan (246230-86-4)

Guidance literature:

With Iodine monochloride; In dichloromethane; at 25 ℃; for 3h;

DOI:10.1021/jo051299c

Reference yield: 96.0%

2-phenylethynylphenol (92151-73-0) → 3-iodo-2-phenylbenzo[b]furan (246230-86-4)

Guidance literature:

With N-iodo-succinimide; triphenylphosphine; In 1,2-dichloro-ethane; at 20 ℃; for 0.0833333h;

DOI:10.1016/j.tet.2015.09.005

upstream raw materials:

2-phenylethynylphenol

2-phenylethynylanisole

phenylacetylene

1-(2-phenylethynyl)-2-(methoxymethoxy)benzene

Downstream raw materials:

methyl 2-phenylbenzofuran-3-carboxylate

2-phenylbenzo[b]furan-3-carbonitrile

Refernces

• 1、 Khelifi, Ilhem,Zhao, Guangkuan,Ghermani, Nour-Eddine,Provot, Olivier,Alami, Mouad. "Unexpected Oxidative Ring Opening of Electron-Rich 3-Aminobenzofurans into α-Ketoimines Derivatives". . p. 1725 - 1733. Retrieved 2019.
• 2、 Hamasaka, Go,Roy, David,Tazawa, Aya,Uozumi, Yasuhiro. "Arylation of Terminal Alkynes by Aryl Iodides Catalyzed by a Parts-per-Million Loading of Palladium Acetate". . p. 11640 - 11646. Retrieved 2019/12/02.