Iodoxamic acid

Base Information

• Chemical Name: Iodoxamic acid
• CAS No.: 31127-82-9
• Molecular Formula: C26H26 I6 N2 O10
• Molecular Weight: 1287.93
• European Community (EC) Number: 250-478-1
• UNII: NS1Y283HW4
• DSSTox Substance ID: DTXSID4057710
• Nikkaji Number: J20.349A
• Wikipedia: Iodoxamic_acid
• Wikidata: Q6062332
• NCI Thesaurus Code: C65936
• Metabolomics Workbench ID: 154336
• ChEMBL ID: CHEMBL1615487
• Mol file: 31127-82-9.mol

Synonyms:3,3'-((1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-dily)diimino)bis(2,4,6-triiodobenzoic acid);B 10610;B-10610;BC 17;BC-17;Endobil;iodoxamate;iodoxamic acid;iodoxamic acid, calcium salt;iodoxamic acid, magnesium salt;iodoxamid;iodoxamidic acid;iodoxaminic acid

Chemical Property of Iodoxamic acid

Chemical Property:

• Vapor Pressure: 0.013mmHg at 25°C
• Boiling Point: 977.7°Cat760mmHg
• PKA: pKa 1.8/2.8(H2O,t = 25) (Uncertain)
• Flash Point: 545.1°C
• PSA: 169.72000
• Density: 2.423g/cm³
• LogP: 6.28040
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 19
• Exact Mass: 1287.5856
• Heavy Atom Count: 44
• Complexity: 868

Purity/Quality:

98%Min ^*data from raw suppliers

IODOXAMIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I
• Uses: Diagnostic aid (radiopaque medium).
• Therapeutic Function: Diagnostic aid

Technology Process of Iodoxamic acid

There total 5 articles about Iodoxamic 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:

α,ω-di(cyanoethylene)triethylene tetraoxide (57741-46-5) → Iodoxamic acid (31127-82-9)

Guidance literature:

Multi-step reaction with 4 steps

1: H₂SO₄ / Heating

2: NaOH / H₂O / Heating

3: SOCl₂ / 50 - 55 °C

4: N,N-dimethyl-acetamide / 75 °C

With sodium hydroxide; thionyl chloride; sulfuric acid; In N,N-dimethyl acetamide; water;

Reference yield:

4,7,10,13-tetraoxa-hexadecanedioic acid diethyl ester (31127-83-0) → Iodoxamic acid (31127-82-9)

Guidance literature:

Multi-step reaction with 3 steps

1: NaOH / H₂O / Heating

2: SOCl₂ / 50 - 55 °C

3: N,N-dimethyl-acetamide / 75 °C

With sodium hydroxide; thionyl chloride; In N,N-dimethyl acetamide; water;

Reference yield:

4,7,10,13-tetraoxahexadecane-1,16-dioic acid (31127-85-2) → Iodoxamic acid (31127-82-9)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / 50 - 55 °C

2: N,N-dimethyl-acetamide / 75 °C

With thionyl chloride; In N,N-dimethyl acetamide;

upstream raw materials:

3-amino-2,4,6-triiodobenzoic acid

3-(2-{2-[2-(2-Chlorocarbonyl-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionyl chloride

α,ω-di(cyanoethylene)triethylene tetraoxide

4,7,10,13-tetraoxa-hexadecanedioic acid diethyl ester

Refernces