Methyl 4-hydroxy-3,5-diiodobenzoate

Base Information

• Chemical Name: Methyl 4-hydroxy-3,5-diiodobenzoate
• CAS No.: 3337-66-4
• Molecular Formula: C8H6I2O3
• Molecular Weight: 403.943
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID70480456
• Nikkaji Number: J974.469J
• Wikidata: Q82315228
• Mol file: 3337-66-4.mol

Synonyms:Methyl 4-hydroxy-3,5-diiodobenzoate;3337-66-4;METHYL 3,5-DIIODO-4-HYDROXYBENZOATE;Methyl4-hydroxy-3,5-diiodobenzoate;3,5-Diiodo-4-hydroxybenzoic acid methyl ester;4-Hydroxy-3,5-diiodo-benzoic acid methyl ester;C8H6I2O3;SCHEMBL5223931;DTXSID70480456;MBNGCRHTBSWFLS-UHFFFAOYSA-N;AMY10174;MFCD03425425;AKOS016006654;DS-16502;CS-0039845;W17249;A913330

Chemical Property of Methyl 4-hydroxy-3,5-diiodobenzoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 167-168 °C
• Refractive Index: 1.701
• Boiling Point: 328.257 °C at 760 mmHg
• PKA: 5.47±0.23(Predicted)
• Flash Point: 152.325 °C
• PSA: 46.53000
• Density: 2.377 g/cm³
• LogP: 2.38800
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 403.84064
• Heavy Atom Count: 13
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-hydroxy-3,5-diiodobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-hydroxy-3,5-diiodobenzoate

There total 13 articles about Methyl 4-hydroxy-3,5-diiodobenzoate 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: 99.0%

methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → methyl 4-hydroxy-3,5-diiodobenzoate (3337-66-4)

Guidance literature:

With sodium percarbonate; potassium iodide; In water; acetic acid; at 50 ℃; Inert atmosphere;

DOI:10.1002/anie.201002191

Reference yield: 96.0%

methanol (67-56-1) + 3,5-diiodo-4-hydroxybenzoic acid (618-76-8) → methyl 4-hydroxy-3,5-diiodobenzoate (3337-66-4)

Guidance literature:

With sulfuric acid; at 65 ℃; for 23h;

DOI:10.1021/jo201979d

Reference yield: 54.0%

methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → methyl 4-hydroxy-3,5-diiodobenzoate (3337-66-4) + methyl 3-iodo-4-hydroxybenzoate (15126-06-4)

Guidance literature:

With 2,2'-azinobis(3-ethylbenzthiazolinesulfonate); laccase; potassium iodide; In dimethyl sulfoxide; at 20 ℃; for 120h; pH=5; Enzymatic reaction;

DOI:10.1039/c9ra02541c

upstream raw materials:

methanol

3,5-diiodo-4-hydroxybenzoic acid

methyl 4-hydroxylbenzoate

chloromethyl methyl ether

Downstream raw materials:

methyl 3,5-diiodo-4-methoxybenzoate

methyl 3-iodo-4-hydroxybenzoate

3,5,3',5'-tetraiodo-4,4'-butanediyldioxy-di-benzoic acid