Thyropropic acid

Base Information

• Chemical Name: Thyropropic acid
• CAS No.: 51-26-3
• Molecular Formula: C15H11 I3 O4
• Molecular Weight: 635.963
• Hs Code.: 2918990090
• UNII: OK7481S22O
• DSSTox Substance ID: DTXSID20198998
• Nikkaji Number: J4.114I
• Wikidata: Q27285698
• NCI Thesaurus Code: C152594
• Pharos Ligand ID: RZXA9QJBBHJU
• ChEMBL ID: CHEMBL291053
• Mol file: 51-26-3.mol

Synonyms:3,3',5-triiodothyropropionic acid;TRIPROP

Chemical Property of Thyropropic acid

Chemical Property:

• Vapor Pressure: 1.63E-12mmHg at 25°C
• Melting Point: 197-1990C
• Boiling Point: 540.5 ºCat 760 mmHg
• PKA: 4.51±0.10(Predicted)
• Flash Point: 280.7 ºC
• PSA: 66.76000
• Density: 2.367 g/cm³
• LogP: 5.01550
• Storage Temp.: −20°C
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 635.7792
• Heavy Atom Count: 22
• Complexity: 370

Purity/Quality:

98%Min ^*data from raw suppliers

3,3’,5-TriiodoThyropropionicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CCC(=O)O)I)I)O
• Uses: Thyroid hormone analog. Antilipemic

Technology Process of Thyropropic acid

There total 1 articles about Thyropropic 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-[4-(4-hydroxy-phenoxy)-3,5-diiodo-phenyl]-propionic acid (1158-10-7) → 3',3,5-triiodothyropropionic acid (51-26-3)

Guidance literature:

With ammonia; iodine;

Reference yield:

3',3,5-triiodothyropropionic acid (51-26-3) → 3-<4-(4-Hydroxy-3-iod-phenoxy)-3,5-diiod-phenyl>-propan-1-ol (738-45-4)

Guidance literature:

With diborane; In tetrahydrofuran;

DOI:10.1021/jm00328a013

upstream raw materials:

3-[4-(4-hydroxy-phenoxy)-3,5-diiodo-phenyl]-propionic acid

Downstream raw materials:

3-<4-(4-Hydroxy-3-iod-phenoxy)-3,5-diiod-phenyl>-propan-1-ol

Refernces