Pelvirinic acid

Base Information

• Chemical Name: Pelvirinic acid
• CAS No.: 101-29-1
• Molecular Formula: C7H5I2NO3
• Molecular Weight: 404.931
• Hs Code.: 2933399090
• European Community (EC) Number: 202-932-5
• NSC Number: 60718
• UNII: NLX9TZ649P
• DSSTox Substance ID: DTXSID7043794
• Nikkaji Number: J11.532K
• Wikidata: Q5279100
• ChEMBL ID: CHEMBL2110615
• Mol file: 101-29-1.mol

Synonyms:101-29-1;3,5-Diiodo-4-pyridone-1-acetic Acid;Pelvirinic acid;Umbradilic acid;Diodone acid;1(4H)-Pyridineacetic acid, 3,5-diiodo-4-oxo-;(3,5-diiodo-4-oxopyridin-1(4H)-yl)acetic acid;2-(3,5-diiodo-4-oxopyridin-1(4H)-yl)acetic acid;2-(3,5-diiodo-4-oxopyridin-1-yl)acetic acid;UNII-NLX9TZ649P;3,5-Diiodo-4-pyridone-N-acetic acid;NLX9TZ649P;3,5-DIIODO-4-HYDROXYPYRIDINE-N-ACETIC ACID;EINECS 202-932-5;MFCD00006185;NSC 60718;NSC-60718;2-(3,5-diiodo-4-oxo-1,4-dihydropyridin-1-yl)acetic acid;1,4-Dihydro-3,5-diiodo-4-oxo-1-pyridylacetic acid;2-(3,5-diiodo-4-oxohydropyridyl)acetic acid;3,5-Diiodo-4-oxo-1(4H)-pyridineacetic acid;MLS006011388;SCHEMBL468504;CHEMBL2110615;DTXSID7043794;CHEBI:141062;3,5-Diiodopyridone-N-acetic acid;C7-H5-I2-N-O3;NSC60718;BBL001800;STK409432;AKOS001312248;3,5-Diiodopyridone-(4)-N-acetic acid;3,5-DIIODO-4-PYRIDONE-1acetic acid;AS-66174;SMR000852679;1(4H)-Pyridineacetic acid,5-diiodo-4-oxo-;3,5-DIIODO-4-PYRIDONE-1-ACETICACID;CS-0214895;D1763;FT-0627271;(3,5-diiodo-4-oxopiperidin-1-yl)acetic acid;EN300-20165;E77861;AB00982904-01;2-(3,5-diiodo-4-oxopyridin-1(4H)-yl)aceticacid;A897200;SR-01000079394;(3,5-Diiodo-4-oxo-1(4H)-pyridinyl)acetic acid #;Q5279100;SR-01000079394-1;1,4-Dihydro-3,5-diiodo-4-oxo-1-pyridineacetic Acid;3,5-Diiodo-4-oxo-1,4-dihydropyridine-1-acetic acid;Z104477116

Chemical Property of Pelvirinic acid

Chemical Property:

• Vapor Pressure: 2.47E-08mmHg at 25°C
• Melting Point: 244 °C (dec.)
• Refractive Index: 1.78
• Boiling Point: 422.8 °C at 760 mmHg
• PKA: 3.60±0.10(Predicted)
• Flash Point: 209.5 °C
• PSA: 59.30000
• Density: 2.68 g/cm³
• LogP: 1.14210
• Sensitive.: Light Sensitive
• Water Solubility.: 2.787g/L(temperature not stated)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 404.83589
• Heavy Atom Count: 13
• Complexity: 300

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,5-DIIODO-4-PYRIDONE-1-ACETIC ACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)C(=CN1CC(=O)O)I)I
• Uses: 3,5-Diiodo-4-pyridone-1-acetic Acid is used in contrast media.
• Therapeutic Function: Diagnostic aid

Technology Process of Pelvirinic acid

There total 6 articles about Pelvirinic 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: 82.6%

4-piperidone hydrochloride (41979-39-9) + chloroacetic acid (79-11-8) → 3,5-diiodo-4-pyridone-1-acetic acid (101-29-1)

Guidance literature:

4-piperidone hydrochloride; chloroacetic acid; With sodium hydroxide; In water; at 70 - 75 ℃; for 6h;

With hydrogen iodide; dihydrogen peroxide; at 20 - 55 ℃; for 6h;

Reference yield:

4-hydroxy-3,5-diiodopyridine (7153-08-4) + chloroacetic acid (79-11-8) → 3,5-diiodo-4-pyridone-1-acetic acid (101-29-1)

Guidance literature:

With sodium hydroxide; water;

Reference yield:

4-pyridone (108-96-3,26266-70-6) → 3,5-diiodo-4-pyridone-1-acetic acid (101-29-1)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH-solution; water; iodine

2: NaOH-solution; water

With sodium hydroxide; water; iodine;

upstream raw materials:

4-hydroxy-3,5-diiodopyridine

chloroacetic acid

4-pyridone

1-hydroxy-1H-pyridin-4-one

Refernces

• 1、 -. "Preparation method of 3,5-dihalogenated-4-pyridone-1-acetic acid". Paragraph 0062-0065. . Retrieved 2019/12/02.