3-Hydroxy-4-iodobenzoic acid

Base Information

• Chemical Name: 3-Hydroxy-4-iodobenzoic acid
• CAS No.: 58123-77-6
• Molecular Formula: C7H5 I O3
• Molecular Weight: 264.019
• Hs Code.: 29225090
• European Community (EC) Number: 625-327-1
• DSSTox Substance ID: DTXSID60353120
• Nikkaji Number: J1.695.247H
• Wikidata: Q72484540
• Mol file: 58123-77-6.mol

Synonyms:3-Hydroxy-4-iodobenzoic acid;58123-77-6;3-Hydroxy-4-iodobenzoicacid;Benzoic acid, 3-hydroxy-4-iodo-;MFCD02068386;3-Hydroxy-4-iodo-benzoic acid;4-Iodo-3-hydroxybenzoic acid;SCHEMBL351139;4-Iodo-3-hydroxy-benzoic acid;DTXSID60353120;BCP09356;BBL101800;STL555597;3-Hydroxy-4-iodobenzoic acid, 97%;AKOS007930832;AB10648;AC-5637;CS-W008049;GS-0934;SY041688;AM20040772;FT-0615820;H1496;EN300-116482;J-512635;Z1269202149

Chemical Property of 3-Hydroxy-4-iodobenzoic acid

Chemical Property:

• Vapor Pressure: 0.000138mmHg at 25°C
• Melting Point: 225-229 °C
• Refractive Index: 1.712
• Boiling Point: 319.8°Cat760mmHg
• PKA: 3.90±0.10(Predicted)
• Flash Point: 147.2°C
• PSA: 57.53000
• Density: 2.155g/cm³
• LogP: 1.69500
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 1.7
• 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:

99% ^*data from raw suppliers

3-Hydroxy-4-iodobenzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,Xi
• Statements: 25-37/38-41-36/37/38
• Safety Statements: 26-36/39-45-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)O)I

Technology Process of 3-Hydroxy-4-iodobenzoic acid

There total 11 articles about 3-Hydroxy-4-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: 92.0%

3-Carboxyphenol (99-06-9) → 3-hydroxy-4-iodobenzoic acid (58123-77-6)

Guidance literature:

With sodium hydroxide; sodium hypochlorite; sodium iodide; In methanol; water; at 0 - 20 ℃;

Reference yield: 30.0%

sodium thiosulfate + 3-Carboxyphenol (99-06-9) → 3-hydroxy-4-iodobenzoic acid (58123-77-6)

Guidance literature:

With Iodine monochloride; In water; acetic acid;

Reference yield:

aqueous sodium hypochlorite + sodium thiosulfate + 3-Carboxyphenol (99-06-9) → 3-hydroxy-4-iodobenzoic acid (58123-77-6)

Guidance literature:

With sodium hydroxide; sodium iodide; In methanol;

upstream raw materials:

meta-hydroxybenzaldehyde

3-Carboxyphenol

4-aminosalicylic acid

ethanol

Downstream raw materials:

1-[1-(3-hydroxy-4-iodo-benzoyl)-piperidin-4-yl]-1,4-dihydro-benzo[d][1,3]oxazin-2-one

4-iodo-3-hydroxybenzoic acid ethyl ester

methyl 3-hydroxy-4-iodobenzoate

3-Carboxyphenol

Refernces

• 1、 -. "Method for preparing benzo oxygen-containing aliphatic heterocyclic derivative". Paragraph 0046-0048. . Retrieved 2021/02/10.
• 2、 -. "IRAK4 INHIBITORS AND USES THEREOF". Paragraph 0125. . Retrieved 2019/05/22.