Iodoxybenzene

Base Information

• Chemical Name: Iodoxybenzene
• CAS No.: 696-33-3
• Molecular Formula: C6H5 I O2
• Molecular Weight: 236.009
• Hs Code.: 2902909090
• NSC Number: 60684
• UNII: K5D68AG7XA
• DSSTox Substance ID: DTXSID70219869
• Nikkaji Number: J96.156F
• Wikidata: Q83096903
• ChEMBL ID: CHEMBL325174
• Mol file: 696-33-3.mol

Synonyms:iodoxybenzene

Chemical Property of Iodoxybenzene

Chemical Property:

• Vapor Pressure: 0.508mmHg at 25°C
• Melting Point: 230°C
• Boiling Point: 198.4°C at 760 mmHg
• Flash Point: 73.8°C
• PSA: 34.14000
• Density: 1.9g/cm³
• LogP: 2.05360
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 235.93343
• Heavy Atom Count: 9
• Complexity: 132

Purity/Quality:

99%, ^*data from raw suppliers

PHENYLIODANEDIOXIDE 95 ^*data from reagent suppliers

Safty Information:

• Statements: R1
• Safety Statements: 35

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Iodoxybenzene

There total 21 articles about Iodoxybenzene 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%

Bisiodobenzene (87301-33-5) → benzenesulfonamide (98-10-2) + iodoxybenzene (696-33-3)

Guidance literature:

In water; Heating;

DOI:10.1055/s-1983-30375

Reference yield: 92.0%

(Dichloroiodo)benzene (932-72-9) → iodoxybenzene (696-33-3)

Guidance literature:

With sodium hypochlorite; acetic acid; at 65 - 75 ℃; for 1h;

DOI:10.1016/S0040-4020(01)82441-8

Reference yield: 90.0%

iodobenzene (591-50-4) → iodoxybenzene (696-33-3)

Guidance literature:

With sodium hypochlorite; acetic acid; In water; at 20 ℃; for 0.166667h;

DOI:10.1021/acs.joc.8b02541

upstream raw materials:

Perbenzoic acid

iodobenzene

chloroform

diethyl ether

Downstream raw materials:

bis(acetoxy)iodylbenzene

N-methyl-N-benzylformamide

N-benzylidene benzylamine

benzaldehyde

Refernces

• 1、 Soldatova, Natalia,Postnikov, Pavel,Troyan, Anna A.,Yoshimura, Akira,Yusubov, Mekhman S.,Zhdankin, Viktor V.. "Mild and efficient synthesis of iodylarenes using Oxone as oxidant". supporting information. p. 4254 - 4256. Retrieved 2016/08/25.
• 2、 Atmaca, Ufuk,Usanmaz, Hande K.,?elik, Murat. "Oxidations of alkenes with hypervalent iodine reagents: An alternative ozonolysis of phenyl substituted alkenes and allylic oxidation of unsubstituted cyclic alkenes". supporting information. p. 2230 - 2232. Retrieved 2014/04/17.