1-Iodo-4-[3-(4-iodophenoxy)-2,2-bis[(4-iodophenoxy)methyl]propoxy]benzene

Base Information

• Chemical Name: 1-Iodo-4-[3-(4-iodophenoxy)-2,2-bis[(4-iodophenoxy)methyl]propoxy]benzene
• CAS No.: 678187-25-2
• Molecular Formula: C29H24I4O4
• Molecular Weight: 944.11600
• DSSTox Substance ID: DTXSID10477668
• Wikidata: Q82310493
• Mol file: 678187-25-2.mol

Synonyms:678187-25-2;1-iodo-4-[3-(4-iodophenoxy)-2,2-bis[(4-iodophenoxy)methyl]propoxy]benzene;4,4'-(2,2-BIS((4-IODOPHENOXY)METHYL)PROPANE-1,3-DIYL)BIS(OXY)BIS(IODOBENZENE);AGN-PC-0NHST9;DTXSID10477668

Chemical Property of 1-Iodo-4-[3-(4-iodophenoxy)-2,2-bis[(4-iodophenoxy)methyl]propoxy]benzene

Chemical Property:

• Melting Point: 163 °C(Solv: benzene (71-43-2); methanol (67-56-1))
• Boiling Point: 758.6±60.0 °C(Predicted)
• PSA: 36.92000
• Density: 1.996±0.06 g/cm3(Predicted)
• LogP: 8.70720
• XLogP3: 9.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 943.7853
• Heavy Atom Count: 37
• Complexity: 514

Purity/Quality:

4,4'-(2,2-Bis((4-iodophenoxy)methyl)propane-1,3-diyl)bis(oxy)bis(iodobenzene) 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCC(COC2=CC=C(C=C2)I)(COC3=CC=C(C=C3)I)COC4=CC=C(C=C4)I)I

Technology Process of 1-Iodo-4-[3-(4-iodophenoxy)-2,2-bis[(4-iodophenoxy)methyl]propoxy]benzene

There total 1 articles about 1-Iodo-4-[3-(4-iodophenoxy)-2,2-bis[(4-iodophenoxy)methyl]propoxy]benzene 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: 80.0%

p-Iodophenol (540-38-5) + pentaerythritol tetratosylate (1522-89-0) → tetrakis[(4-iodophenoxy)methyl]methane (678187-25-2)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; for 16h; Heating;

DOI:10.1021/jo035311h

Reference yield: 92.0%

trimethylsilylacetylene (1066-54-2) + tetrakis[(4-iodophenoxy)methyl]methane (678187-25-2) → tetrakis[[4-[(trimethylsilyl)ethynyl]phenoxy]methyl]methane

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 25 ℃; for 14h;

DOI:10.1021/jo035311h

Reference yield:

tetrakis[(4-iodophenoxy)methyl]methane (678187-25-2) → tetrakis[(4-ethynylphenoxy)methyl]methane

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / PdCl₂(PPh₃)2; CuI; Et₃N / 14 h / 25 °C

2: 95 percent / tetrabutylammonium fluoride / tetrahydrofuran / 3 h / 25 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; tetrabutyl ammonium fluoride; triethylamine; In tetrahydrofuran; 1: Sonogashira coupling;

DOI:10.1021/jo035311h

upstream raw materials:

p-Iodophenol

pentaerythritol tetratosylate

Refernces