2,4-Diiodophenol

Base Information

• Chemical Name: 2,4-Diiodophenol
• CAS No.: 2012-29-5
• Molecular Formula: C6H4 I2 O
• Molecular Weight: 345.906
• Hs Code.: 2908199090
• European Community (EC) Number: 830-030-7
• DSSTox Substance ID: DTXSID70173937
• Nikkaji Number: J338.587F
• Wikidata: Q209210
• Mol file: 2012-29-5.mol

Synonyms:2,4-Diiodophenol;2012-29-5;Phenol, 2,4-diiodo-;BRN 1861293;4-Iodo-2-iodophenol;C6H4I2O;SCHEMBL1686442;DTXSID70173937;C6-H4-I2-O;CAA01229;MFCD01707535;AKOS037648839;MB01999;BS-15790;LS-104408;CS-0148191;FT-0703283;C13368;EN300-6495058;Q209210;Z1269227074

Chemical Property of 2,4-Diiodophenol

Chemical Property:

• Vapor Pressure: 0.00181mmHg at 25°C
• Melting Point: 72-73 °C
• Boiling Point: 283.8°Cat760mmHg
• PKA: 7.90±0.18(Predicted)
• Flash Point: 125.4°C
• PSA: 20.23000
• Density: 2.62g/cm³
• LogP: 2.60140
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 345.83516
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

98% ^*data from raw suppliers

2,4-diiodophenol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)I)O

Technology Process of 2,4-Diiodophenol

There total 33 articles about 2,4-Diiodophenol 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: 94.0%

4-chloro-phenol (106-48-9,82344-39-6) → 2,4-diiodophenol (2012-29-5)

Guidance literature:

With dihydrogen peroxide; iodine; In water; at 45 ℃; for 24h; regioselective reaction;

DOI:10.1080/00397911.2011.558967

Reference yield: 86.0%

p-Iodophenol (540-38-5) → 2,4-diiodophenol (2012-29-5)

Guidance literature:

p-Iodophenol; With ammonium iodide; In methanol; at 0 ℃; for 0.0333333h;

With potassium phosphate; In methanol; for 0.0833333h;

DOI:10.1021/acs.joc.9b00161

Reference yield: 86.0%

2-Iodophenol (533-58-4) → 2,4-diiodophenol (2012-29-5)

Guidance literature:

With sodium hypochlorite; sodium iodide; sodium hydroxide; In methanol; at 0 ℃; for 2.33333h;

DOI:10.1002/anie.201304923

upstream raw materials:

2-Iodophenol

p-Iodophenol

2,4,6-Triiodophenol

2,4-diiodoaniline

Downstream raw materials:

(2,4-diiodophenoxy)acetic acid

diiodo-4,6 nitro-2 phenol

Refernces

• 1、 Carniti, Paolo,Colonna, Stefano,Gervasini, Antonella. "Direct green iodination of phenol over solid acids". . p. 55 - 62. Retrieved 2010.
• 2、 Morikawa, Daiki,Morii, Kazuki,Yasuda, Yuto,Mori, Atsunori,Okano, Kentaro. "Convergent Total Synthesis of Lamellarins and Their Congeners". . p. 8603 - 8617. Retrieved 2020/07/16.
• 3、 Kinsinger, Thorsten,Kazmaier, Uli. "Mono-selective β-C-H arylation of: N -methylated amino acids and peptides promoted by the 2-(methylthio)aniline directing group". supporting information. p. 5595 - 5600. Retrieved 2019/06/13.