Thyroxine Ethyl Ester

Base Information

• Chemical Name: Thyroxine Ethyl Ester
• CAS No.: 76353-71-4
• Molecular Formula: C₁₇H₁₅I₄NO₄
• Molecular Weight: 804.928
• DSSTox Substance ID: DTXSID20708672
• Wikidata: Q82643144
• Mol file: 76353-71-4.mol

Synonyms:Thyroxine Ethyl Ester;76353-71-4;ETHYL (2S)-2-AMINO-3-[4-(4-HYDROXY-3,5-DIIODOPHENOXY)-3,5-DIIODOPHENYL]PROPANOATE;SCHEMBL9746882;DTXSID20708672;L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, ethyl ester;Ethyl O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosinate

Chemical Property of Thyroxine Ethyl Ester

Chemical Property:

• Melting Point: >102°C (dec.)
• PSA: 81.78000
• LogP: 5.73610
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Ethyl Acetate (Slightly), Methanol (Slightly, Heated)
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 804.7180
• Heavy Atom Count: 26
• Complexity: 448

Purity/Quality:

98% ^*data from raw suppliers

Thyroxine ethyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)N
• Isomeric SMILES: CCOC(=O)[C@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)N
• Uses: An analog of Thyroxine (L425600) with stimulatory effects on human red blood cell membrane Ca2+-activated ATPase. It is a potential inactivator of iodothyronine deiodinase type II.

Technology Process of Thyroxine Ethyl Ester

There total 1 articles about Thyroxine Ethyl Ester 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:

→ 3,5,3',5'-tetraiodo-thyronine ethyl ester (76353-71-4)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/jr9500000840