Tyropanic acid

Base Information

• Chemical Name: Tyropanic acid
• CAS No.: 27293-82-9
• Molecular Formula: C15H18 I3 N O3
• Molecular Weight: 641.026
• Hs Code.: 2924299090
• European Community (EC) Number: 248-389-8
• UNII: 4F05V145YR
• DSSTox Substance ID: DTXSID5048269
• Nikkaji Number: J308.471J
• Wikipedia: Tyropanoic_acid
• Wikidata: Q6587055
• NCI Thesaurus Code: C76638
• Metabolomics Workbench ID: 152345
• ChEMBL ID: CHEMBL1201261
• Mol file: 27293-82-9.mol

Synonyms:Bilopaque;Sodium Tyropanoate;Sodium, Tyropanoate;Tyropanoate;Tyropanoate Sodium;Tyropanoate, Sodium;WIN 88512;WIN-88512;WIN88512

Chemical Property of Tyropanic acid

Chemical Property:

• Vapor Pressure: 1.14E-15mmHg at 25°C
• Melting Point: 172-185.5 °C
• Boiling Point: 608.7°Cat760mmHg
• PKA: 4.53±0.19(Predicted)
• Flash Point: 321.9°C
• PSA: 69.89000
• Density: 2.143g/cm³
• LogP: 5.54180
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 640.8421
• Heavy Atom Count: 22
• Complexity: 394

Purity/Quality:

98%Min ^*data from raw suppliers

TyropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)O)I)I
• Uses: Tyropanoic Acid acts as a cholecystographic agent that interferes with the binding of thyroid hormones.

Technology Process of Tyropanic acid

There total 1 articles about Tyropanic 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:

→ 2-[3-(butyrylamino)-2,4,6-triiodobenzyl]butyric acid (27293-82-9)

Guidance literature:

Jopanoesaeure (1), Buttersaeureanhydrid, Propancarbonsaeure, H2SO4;

DOI:10.1021/jm00299a055