Iodomethamate

Base Information

• Chemical Name: Iodomethamate
• CAS No.: 1951-53-7
• Molecular Formula: C8H5I2NO5
• Molecular Weight: 448.94
• Hs Code.: 2933399090
• European Community (EC) Number: 217-774-2
• UNII: 7ZB9KVX88I
• DSSTox Substance ID: DTXSID80173165
• Nikkaji Number: J7.830A
• Wikidata: Q27269068
• NCI Thesaurus Code: C83823
• ChEMBL ID: CHEMBL2110859
• Mol file: 1951-53-7.mol

Synonyms:3,5-diiodo-4-oxy-N-methylpyridine-2,6-dicarboxylic acid;uroselectan B;uroselectan B, disodium salt

Chemical Property of Iodomethamate

Chemical Property:

• Vapor Pressure: 6.42E-08mmHg at 25°C
• Refractive Index: 1.801
• Boiling Point: 411.4°C at 760 mmHg
• Flash Point: 202.6°C
• PSA: 96.60000
• Density: 2.77g/cm³
• LogP: 0.99090
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 448.82572
• Heavy Atom Count: 16
• Complexity: 425

Purity/Quality:

99% ^*data from raw suppliers

1,4-DIHYDRO-3,5-DIIODO-1-METHYL-4-OXOPYRIDINE-2,6-DICARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C(=O)C(=C1C(=O)O)I)I)C(=O)O

Technology Process of Iodomethamate

There total 4 articles about Iodomethamate 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:

1-methyl-4-oxo-1,4-dihydro-pyridine-2,6-dicarboxylic acid (41600-42-4) → 3,5-diiodo-1-methyl-4-oxo-1,4-dihydro-pyridine-2,6-dicarboxylic acid (1951-53-7)

Guidance literature:

With hydrogenchloride; Iodine monochloride; at 20 ℃;

Reference yield:

4-hydroxy-3,5-diiodo-pyridine-2,6-dicarboxylic acid (74263-51-7) → 3,5-diiodo-1-methyl-4-oxo-1,4-dihydro-pyridine-2,6-dicarboxylic acid (1951-53-7)

Guidance literature:

With potassium hydroxide; dimethyl sulfate;

Reference yield:

Chelidamic acid (499-51-4) → 3,5-diiodo-1-methyl-4-oxo-1,4-dihydro-pyridine-2,6-dicarboxylic acid (1951-53-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate containing aqueous NaOH; iodine / mehrmaliges Ansaeuern und Neutralisieren des Reaktionsgemisches

2: CH₃I; aqueous Na₂CO₃

With sodium hydroxide; iodine; sodium acetate; sodium carbonate; methyl iodide;

upstream raw materials:

1-methyl-4-oxo-1,4-dihydro-pyridine-2,6-dicarboxylic acid

4-hydroxy-3,5-diiodo-pyridine-2,6-dicarboxylic acid

3,5-diiodo-1-methyl-4-oxo-1,4-dihydro-pyridine-2,6-dicarboxylic acid dimethyl ester

Chelidamic acid