1-[(3-Oxo-1lambda3,2-benziodoxol-1-yl)oxy]-1lambda3,2-benziodoxol-3-one

Base Information

• Chemical Name: 1-[(3-Oxo-1lambda3,2-benziodoxol-1-yl)oxy]-1lambda3,2-benziodoxol-3-one
• CAS No.: 1829-23-8
• Molecular Formula: C14H8 I2 O5
• Molecular Weight: 510.024
• NSC Number: 364375
• DSSTox Substance ID: DTXSID00316118
• Wikidata: Q82069664
• Mol file: 1829-23-8.mol

Synonyms:NSC364375;1829-23-8;NSC 364375;DTXSID00316118;NSC-364375

Chemical Property of 1-[(3-Oxo-1lambda3,2-benziodoxol-1-yl)oxy]-1lambda3,2-benziodoxol-3-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 509.84612
• Heavy Atom Count: 21
• Complexity: 417

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)OI2OI3C4=CC=CC=C4C(=O)O3

Technology Process of 1-[(3-Oxo-1lambda3,2-benziodoxol-1-yl)oxy]-1lambda3,2-benziodoxol-3-one

There total 2 articles about 1-[(3-Oxo-1lambda3,2-benziodoxol-1-yl)oxy]-1lambda3,2-benziodoxol-3-one 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:

Phosphoric acid 3-oxo-3H-1λ3-benzo[d][1,2]iodoxol-1-yl ester diphenyl ester (155791-59-6) + sodium 2-iodosobenzoate → diphenyl hydrogen phosphate (838-85-7) + 1H,1'H-1,1'-oxy-bis-1λ3-benzo[d][1,2]iodoxol-3-one (1829-23-8)

Guidance literature:

In dimethylsulfoxide-d6;

DOI:10.1021/ja00089a044

Reference yield:

1-acetoxy-1,2-benziodoxol-3-one (1829-26-1) → 1H,1'H-1,1'-oxy-bis-1λ3-benzo[d][1,2]iodoxol-3-one (1829-23-8)

Guidance literature:

With pyridine;

DOI:10.1039/jr9650003721

upstream raw materials:

1-acetoxy-1,2-benziodoxol-3-one

Phosphoric acid 3-oxo-3H-1λ³-benzo[d][1,2]iodoxol-1-yl ester diphenyl ester