Rathyronine

Base Information

• Chemical Name: Rathyronine
• CAS No.: 3130-96-9
• Molecular Formula: C15H12 I3 N O4
• Molecular Weight: 650.978
• European Community (EC) Number: 221-522-7
• NSC Number: 80203,46046
• UNII: O48UO55HR0
• DSSTox Substance ID: DTXSID30858995
• Nikkaji Number: J1.682.490I
• Wikidata: Q27163652
• NCI Thesaurus Code: C61710
• Pharos Ligand ID: 3XYTNVXSYZB4
• Metabolomics Workbench ID: 143493
• ChEMBL ID: CHEMBL789
• Mol file: 3130-96-9.mol

Synonyms:Rathyronine;dl-triiodothyronine;3130-96-9;Liothyronine, dl-;Rathyroninum;Ratironina;Thrithyrone;2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid;NSC46046;Rathyronine [INN:DCF];Rathyroninum [INN-Latin];Ratironina [INN-Spanish];UNII-O48UO55HR0;O48UO55HR0;3,3',5-Triiodothyronine, DL-;EINECS 221-522-7;O-(4-hydroxy-3-iodophenyl)-3,5-diiodotyrosine;Detrothyronin;Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-;DL-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-;(RS)-3-(4-(4-Hydroxy-3-iodphenoxy)-3,5-diiodphenyl)alanin;DL-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine;(+)-Triiodothyronine;Rathyronine [DCF:INN];3,5,3'-Triiodo-DL-thyronine;5714-08-9;Dextro-3:5:3'-triiodothyronine;Dextrotiroxina;Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, DL-;NSC-46046;ALANINE, 3-(4-(4-HYDROXY-3-IODOPHENOXY)-3,5-DIIODOPHENYL)-, DL-;D-Triiodothyronine;3,5-Triiodothyronine;D-Tyrosine,5-diiodo-;Spectrum_001802;3,3'-Triiodothyronine;CPD001567029;Triiodothyronine;3,3',5-Triiodo-L-thyronine;T3;Spectrum3_001844;Spectrum4_000095;Spectrum5_001460;RATHYRONINE [INN];L-3,5-TriioDOThyronine;3,5-Triiodo-D-thyronine;3,5-Triiodo-L-thyronine;D-3,3'-Triiodothyronine;CHEMBL789;3,3'-Triiodo-D-thyronine;D-Alanine,5-diiodophenyl]-;BSPBio_003228;KBioGR_000390;KBioSS_002295;3,3'-Tri-iodo-L-thyronine;3,3,5-Triiodo-D-thyronine;Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-;DivK1c_000727;SCHEMBL123365;3,3',5-triiodo-dl-thyronine;Alanine,5-diiodophenyl]-, D-;CHEBI:91857;KBio1_000727;KBio2_002293;KBio2_004861;KBio2_007429;KBio3_002728;DTXSID30858995;NINDS_000727;BDBM398047;HMS3259A15;HMS3372L07;HMS3746K21;US10322118, Entry 5;BCP08510;NSC80203;STL451044;AKOS015918422;NC00495;IDI1_000727;NCGC00021140-02;NCGC00021140-03;NCI60_004086;FT-0614012;FT-0614013;EN300-297381;SR-05000001577;SR-05000001577-1;BRD-A74642112-001-01-0;Q27163652;3-CYANO-4-METHYL-2,6-BISMETHOXYPROPYLAMINOPYRIDINE;O-[4-Hydroxy-3-(125I)iodophenyl]-3,5-di(125I)iodo-L-tyrosine

Chemical Property of Rathyronine

Chemical Property:

• Boiling Point: 563.5°Cat760mmHg
• Flash Point: 294.6°C
• Density: 2.387g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 650.7901
• Heavy Atom Count: 23
• Complexity: 402

Purity/Quality:

98%Min ^*data from raw 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)CC(C(=O)O)N)I)I)O

Technology Process of Rathyronine

There total 2 articles about Rathyronine 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-diiodo-DL-thyronine (534-51-0) → 3,5,3'-Trijodothyronin (T3) (3130-96-9,15785-49-6,7013-53-8)

Guidance literature:

With ammonium hydroxide; iodine;

Reference yield:

→ 3,5,3'-Trijodothyronin (T3) (3130-96-9,15785-49-6,7013-53-8)

Guidance literature:

Na L-thyroxin*5H2O, H3PO2/HOAc, Siedehitze;

Reference yield: 50.0%

3,5,3'-Trijodothyronin (T3) (3130-96-9,15785-49-6,7013-53-8) + ethyl iodide (75-03-6) → ethyl 2-(ethylamino)-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate

Guidance literature:

3,5,3'-Trijodothyronin (T₃); With caesium carbonate; In N,N-dimethyl-formamide; for 0.0833333h;

ethyl iodide; In N,N-dimethyl-formamide; for 1h;

upstream raw materials:

3,5-diiodo-DL-thyronine

Downstream raw materials:

2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid methyl ester; hydrochloride

2,2,3,3,4,4,4-Heptafluoro-butyric acid 4-{4-[2-(2,2,3,3,4,4,4-heptafluoro-butyrylamino)-2-methoxycarbonyl-ethyl]-2,6-diiodo-phenoxy}-2-iodo-phenyl ester

{Cu(HOC₆H₃IOC₆H₂I₂CH₂CH(NH₂)COO)2}