DL-Thyroxine

Base Information

• Chemical Name: DL-Thyroxine
• CAS No.: 300-30-1
• Molecular Formula: C15H11I4NO4
• Molecular Weight: 776.875
• Hs Code.: 2922509090
• European Community (EC) Number: 206-088-9
• NSC Number: 259940,36397
• UNII: QR0BV3BRIA
• DSSTox Substance ID: DTXSID0023662
• Nikkaji Number: J5.474G
• Wikipedia: Thyroxine
• Wikidata: Q216852
• NCI Thesaurus Code: C90975
• ChEMBL ID: CHEMBL42115
• Mol file: 300-30-1.mol

Synonyms:DL-Thyroxine;300-30-1;Thyroxine, dl-;2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid;CHEBI:30660;QR0BV3BRIA;UNII-QR0BV3BRIA;O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-DL-tyrosine;EINECS 206-088-9;3,3',5,5'-Tetraiodo-DL-thyronine;C15H11I4NO4;Levothyroxine;T4;DL-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-;2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoic acid;Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-;D-T4;D-Thyroxine;7488-70-2;Monosodium thyroxine;Dextrotiroxina-sodica;T4 (pharmaceutical);DL-THYROXINE [MI];Epitope ID:122661;SCHEMBL26147;CHEMBL42115;SGCUT00139;3,5,5'-Tetraiodo-L-thyronine;DTXSID0023662;BDBM398048;HMS3656A22;US10322118, Entry 6;BCP34411;NSC36397;to_000083;MFCD00063058;NSC259940;STL481965;AKOS003348790;AKOS016344683;NCGC00094852-01;NCGC00094852-02;NCGC00094852-04;L-Tyrosine,5-diiodophenyl)-3,5-diiodo-;LS-04434;LS-153820;LS-186124;BB 0262697;FT-0600821;FT-0625522;FT-0675208;dl-O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine;L-Tyrosine,5-diiodophenyl)-3,5-diiodo-, monosodium salt;(.+/-.)-O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine;4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenylalanine #;(+/-)-3-(4-(4-HYDROXY-3,5-DIIODOPHENOXY)-3,5-DIIODOPHENYL)ALANINE

Chemical Property of DL-Thyroxine

Chemical Property:

• Melting Point: 211 °C (decomp)
• Boiling Point: 576.306 °C at 760 mmHg
• PKA: 2.12±0.30(Predicted)
• Flash Point: 302.339 °C
• PSA: 92.78000
• Density: 2.635 g/cm³
• LogP: 5.25760
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 776.6867
• Heavy Atom Count: 24
• Complexity: 420

Purity/Quality:

90% ^*data from raw suppliers

3,3',5,5'-TETRAIODO-DL-THYRONINE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N

Technology Process of DL-Thyroxine

There total 6 articles about DL-Thyroxine 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:

→ thyroxine (300-30-1,24486-40-6)

Guidance literature:

With sodium hydroxide; air; manganese (II, IV)-oxide; at 60 ℃;

Reference yield:

3,5-diiodo-DL-thyronine (534-51-0) → thyroxine (300-30-1,24486-40-6)

Guidance literature:

With ammonia; iodine;

DOI:10.1039/jr9500000840

Reference yield:

→ thyroxine (300-30-1,24486-40-6)

Guidance literature:

With sodium hydroxide; L-glutamic acid; acetone; Behandeln einer wss. Loesung des Barium-Salzes des erhaltenen Reaktionsprodukts mit Luft bei pH 7.4 und Erhitzen des danach isolierten Reaktionsprodukts mit wss. Salzsaeure und Essigsaeure;

upstream raw materials:

3,5-diiodo-DL-thyronine

Downstream raw materials:

L-thyroxine

(D)-thyroxine

N-acetyl-thyroxine

triiodothyronine

Refernces

• 1、 -. "Composition of matter having bioactive properties". . . Retrieved 2008/06/13.
• 2、 -. "Immunological materials". . . Retrieved 2008/06/13.