3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride

Base Information

• Chemical Name: 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride
• CAS No.: 73698-48-3
• Molecular Formula: C₇H₄ClIO₂
• Molecular Weight: 282.465
• DSSTox Substance ID: DTXSID40994555
• Mol file: 73698-48-3.mol

Synonyms:3-Oxo-3H-2,1-benzoxiodolium chloride;3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride;73698-48-3;C7H4IO2.Cl;C7-H4-I-O2.Cl;DTXSID40994555;LS-33488;3-Oxo-3H-1,2-benziodoxol-1-ium chloride

Chemical Property of 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride

Chemical Property:

• PSA: 26.30000
• LogP: -4.96540
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 281.89445
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

3-OXO-3H-2,1-BENZOXIODOLIUM CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)O[I+]2.[Cl-]

Technology Process of 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride

There total 5 articles about 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride 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%

2-Iodobenzoic acid (88-67-5) → 1-chloro-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one (59457-26-0,73698-48-3)

Guidance literature:

With trichloroisocyanuric acid; In acetonitrile; at 75 ℃; for 0.166667h; Inert atmosphere; Reflux;

DOI:10.1021/jo400774u

Reference yield: 95.0%

1-azido-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one (160732-56-9) → 1-chloro-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one (59457-26-0,73698-48-3)

Guidance literature:

With lithium chloride; In dichloromethane; at 20 ℃; for 12h; Solvent;

DOI:10.1039/c5sc04169d

Reference yield: 74.0%

1-(tert-butylperoxy)-1,2-benziodoxol-3(1H)-one (142260-70-6) → 1-chloro-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one (59457-26-0,73698-48-3)

Guidance literature:

With chloroform; Ambient temperature;

DOI:10.1021/ja00041a069

upstream raw materials:

2-Iodobenzoic acid

1-(tert-butylperoxy)-1,2-benziodoxol-3(1H)-one

1-hydroxy-1,2-benzodioxol-3-(1H)-one

1-azido-1λ³-benzo[d][1,2]iodaoxol-3(1H)-one

Downstream raw materials:

(2-carboxy-phenyl)-dichloro-λ³-iodane

1-chloro-2,3,5,6-tetramethylbenzene

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