2-Hydroxy-3-iodobenzoic acid

Base Information

• Chemical Name: 2-Hydroxy-3-iodobenzoic acid
• CAS No.: 520-79-6
• Molecular Formula: C7H5IO3
• Molecular Weight: 264.019
• Hs Code.: 2918290000
• European Community (EC) Number: 834-720-9
• DSSTox Substance ID: DTXSID00487054
• Nikkaji Number: J96.187F
• Wikidata: Q82328909
• Mol file: 520-79-6.mol

Synonyms:2-HYDROXY-3-IODOBENZOIC ACID;520-79-6;3-Jod-salicylsaure;SCHEMBL421225;DTXSID00487054;2-HYDROXY-3-IODOBENZOICACID;AMY37719;AT10718;MB25549;CS-0453213;EN300-134249

Chemical Property of 2-Hydroxy-3-iodobenzoic acid

Chemical Property:

• Melting Point: 201-202 °C
• Boiling Point: 295.8±30.0 °C(Predicted)
• PKA: 2.47±0.10(Predicted)
• PSA: 57.53000
• Density: 2.155±0.06 g/cm3(Predicted)
• LogP: 1.69500
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 263.92834
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

2-Hydroxy-3-iodobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-3-iodobenzoic acid

There total 12 articles about 2-Hydroxy-3-iodobenzoic 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: 82.0%

salicylic acid (69-72-7,25496-36-0,8052-31-1) → 2-hydroxy-5-iodobenzoic acid (119-30-2) + 2-hydroxy-3-iodobenzoic acid (520-79-6)

Guidance literature:

salicylic acid; With sulfuric acid; In acetonitrile; at 20 ℃; for 0.0833333h;

With N-iodo-succinimide; In acetonitrile; at 20 ℃; for 1.5h; regioselective reaction;

DOI:10.1080/00397911.2019.1711415

Reference yield:

ethanol (64-17-5) + iodine (7553-56-2,12190-71-5,8031-47-8) + salicylic acid (69-72-7,25496-36-0,8052-31-1) → 2-hydroxy-5-iodobenzoic acid (119-30-2) + 2-hydroxy-3-iodobenzoic acid (520-79-6) + 3,5-diiodosalicylic acid (133-91-5)

Guidance literature:

Reference yield:

salicylic acid (69-72-7,25496-36-0,8052-31-1) → 2-hydroxy-5-iodobenzoic acid (119-30-2) + 2-hydroxy-3-iodobenzoic acid (520-79-6) + 3,5-diiodosalicylic acid (133-91-5)

Guidance literature:

salicylic acid; In acetonitrile; at 20 ℃; for 0.0833333h;

With N-iodo-succinimide; In acetonitrile; at 20 ℃; for 48h;

DOI:10.1080/00397911.2019.1711415

upstream raw materials:

3-aminosalicylic acid

salicylic acid

ethanol

iodine

Downstream raw materials:

2,3-Dihydroxybenzoic acid

3,5-diiodosalicylic acid

methyl 2-hydroxy-3-iodobenzoate

2-acetoxy-3,5-diiodo-benzoic acid

Refernces

• 1、 Hopkins, Andrew Ramsay,Green, Adam Llywellyn,Williams, Andrew. "Electrophilic Catalysis of Sulphate (-SO3-) Group Transfer: Hydrolysis of Salicyl Sulphates assisted by Intramolecular Hydrogen Bonding". . p. 1279 - 1284. Retrieved 2007/10/02.