2-iodobenzenesulfonic Acid

Base Information

• Chemical Name: 2-iodobenzenesulfonic Acid
• CAS No.: 63059-25-6
• Molecular Formula: C6H5IO3S
• Molecular Weight: 284.074
• Hs Code.: 2904909090
• European Community (EC) Number: 858-827-5
• DSSTox Substance ID: DTXSID30380827
• Nikkaji Number: J2.680.614C
• Wikidata: Q72483367
• Mol file: 63059-25-6.mol

Synonyms:2-iodobenzenesulfonic Acid;63059-25-6;2-Iodobenzenesulphonic acid;Benzenesulfonic acid, 2-iodo-;2-iodobenzene-1-sulfonic acid;MFCD01860232;2-IODOBENZENESULFONICACID;C6H5IO3S;SCHEMBL2567985;DTXSID30380827;ZJTNYBYLBTVLRD-UHFFFAOYSA-N;BCP21688;AKOS015890836;PS-7204;SY029318;AM20040907;CS-0041161;FT-0650747;I0758;EN300-2936432;A847032;J-509729;2-Iodobenzenesulphonic acid pound>>2-iodobenzene-1-sulfonic acid pound>>Benzenesulfonic acid, 2-iodo-

Chemical Property of 2-iodobenzenesulfonic Acid

Chemical Property:

• Melting Point: 344-345 °C
• Refractive Index: 1.667
• PKA: -1.01±0.15(Predicted)
• PSA: 62.75000
• Density: 2.115 g/cm³
• LogP: 2.61870
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Water Solubility.: Soluble in water
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 283.90041
• Heavy Atom Count: 11
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

2-IodobenzenesulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-iodobenzenesulfonic Acid

There total 5 articles about 2-iodobenzenesulfonic Acid 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-iodobenzene-1-sulfonyl chloride (63059-29-0) → 2-iodobenzenesulfonic acid (63059-25-6)

Guidance literature:

With water; In 1,4-dioxane; for 6h; Reflux;

DOI:10.1021/acs.orglett.1c00994

Reference yield: 89.0%

2-[(4-methoxyphenyl)iodonio]benzenesulfonate (1194059-82-9) + phenylboronic acid (98-80-6) → 4-methoxylbiphenyl (613-37-6) + 2-iodobenzenesulfonic acid (63059-25-6)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; for 3h; Reflux;

DOI:10.1016/j.tetlet.2009.08.067

Reference yield: 82.0%

2-amino-1-benzenesulfonic acid (88-21-1) → 2-iodobenzenesulfonic acid (63059-25-6)

Guidance literature:

2-amino-1-benzenesulfonic acid; With sodium carbonate; In water;

With sodium nitrite; In water; at 0 ℃; for 0.75h; Further stages;

DOI:10.1002/anie.202013275

upstream raw materials:

2-amino-1-benzenesulfonic acid

2-[(4-methoxyphenyl)iodonio]benzenesulfonate

phenylboronic acid

2-iodobenzene-1-sulfonyl chloride

Downstream raw materials:

nonanone-5

Refernces

• 1、 Radhoff, Niklas,Studer, Armido. "Functionalization of α-C(sp3)?H Bonds in Amides Using Radical Translocating Arylating Groups". supporting information. p. 3561 - 3565. Retrieved 2021/01/04.
• 2、 Bourbon, Paul,Appert, Emeline,Martin-Mingot, Agnès,Michelet, Bastien,Thibaudeau, Sébastien. "Complementary Site-Selective Sulfonylation of Aromatic Amines by Superacid Activation". supporting information. p. 4115 - 4120. Retrieved 2021/06/21.