Iopronic acid

Base Information

• Chemical Name: Iopronic acid
• CAS No.: 37723-78-7
• Molecular Formula: C15H18 I3 N O5
• Molecular Weight: 673.025
• Hs Code.: 2924299090
• European Community (EC) Number: 253-643-6
• DSSTox Substance ID: DTXSID30865881
• Nikkaji Number: J21.234B
• NCI Thesaurus Code: C166773
• ChEMBL ID: CHEMBL2105012
• Mol file: 37723-78-7.mol

Synonyms:B 11,420;Bilimiro;iopronic acid;iopronic acid, monosodium salt

Chemical Property of Iopronic acid

Chemical Property:

• Vapor Pressure: 4.26E-19mmHg at 25°C
• Melting Point: 130°C
• Refractive Index: 1.67
• Boiling Point: 674.2°Cat760mmHg
• Flash Point: 361.5°C
• PSA: 84.86000
• Density: 2.149g/cm³
• LogP: 4.03800
• Water Solubility.: 20.08g/L(37 oC)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 672.8319
• Heavy Atom Count: 24
• Complexity: 426

Purity/Quality:

98%Min ^*data from raw suppliers

IOPRONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(COCCOC1=C(C=C(C(=C1I)NC(=O)C)I)I)C(=O)O
• Therapeutic Function: Diagnostic aid (radiopaque medium)

Technology Process of Iopronic acid

There total 5 articles about Iopronic 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:

3-(2-chloroethoxy)-2-ethylpropionic acid ethyl ester (37705-88-7) → iopronic acid (37723-78-7)

Guidance literature:

Multi-step reaction with 3 steps

1: NaI / ethanol / Heating

2: NaOEt / ethanol / Heating

3: aq. NaOH / Heating

With sodium hydroxide; sodium ethanolate; sodium iodide; In ethanol;

Reference yield:

3-(2-Jodaethoxy)-2-aethylpropionsaeureaethylester (37723-81-2) → iopronic acid (37723-78-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOEt / ethanol / Heating

2: aq. NaOH / Heating

With sodium hydroxide; sodium ethanolate; In ethanol;

Reference yield:

2-(2-Chloraethoxymethyl)-2-aethylmalonsaeurediaethylester (37705-87-6) → iopronic acid (37723-78-7)

Guidance literature:

Multi-step reaction with 4 steps

1: (i) aq. NaOH, (ii) (heating)

2: NaI / ethanol / Heating

3: NaOEt / ethanol / Heating

4: aq. NaOH / Heating

With sodium hydroxide; sodium ethanolate; sodium iodide; In ethanol;

upstream raw materials:

3-<2-(3-Acetylamino-2,4,6-trijodophenoxy)-aethoxy>-2-aethylpropionsaeureaethylester

3-(2-chloroethoxy)-2-ethylpropionic acid ethyl ester

3-(2-Jodaethoxy)-2-aethylpropionsaeureaethylester

2-(2-Chloraethoxymethyl)-2-aethylmalonsaeurediaethylester

Refernces