3-(4-Hydroxy-3,5-diiodophenyl)propanoic acid

Base Information

• Chemical Name: 3-(4-Hydroxy-3,5-diiodophenyl)propanoic acid
• CAS No.: 13811-11-5
• Molecular Formula: C9H8 I2 O3
• Molecular Weight: 417.97
• UNII: 77AKEXCGKV
• DSSTox Substance ID: DTXSID80929982
• Nikkaji Number: J573.896B
• Wikidata: Q27166333
• ChEMBL ID: CHEMBL83092
• Mol file: 13811-11-5.mol

Synonyms:3,5-diiodo-4-hydroxyphenylpropionic acid;DIHPA

Chemical Property of 3-(4-Hydroxy-3,5-diiodophenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 1.62E-06mmHg at 25°C
• Boiling Point: 382°Cat760mmHg
• Flash Point: 184.8°C
• PSA: 57.53000
• Density: 2.375g/cm³
• LogP: 2.61860
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 417.85629
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

99%min ^*data from raw suppliers

3,5-Diiodo-4-hydroxyphenylpropionicAcid ^*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)O)I)CCC(=O)O
• Uses: 3,5-Diiodo-4-hydroxyphenylpropionic Acid is an intermediate in synthesizing 3,3’,5-Triiodo Thyropropionic Acid (T795410), which is a Thyroid hormone analog, an antilipemic.

Technology Process of 3-(4-Hydroxy-3,5-diiodophenyl)propanoic acid

There total 3 articles about 3-(4-Hydroxy-3,5-diiodophenyl)propanoic 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: 93.0%

4-hydroxyphenylpropionic acid (501-97-3) → 3-(3,5-diiodo-4-hydroxyphenyl)-propionic acid (13811-11-5)

Guidance literature:

4-hydroxyphenylpropionic acid; With pyridine; dihydrogen peroxide; iodine; In water; at 40 ℃; for 2h;

With hydrogenchloride; In water; at 20 ℃; Product distribution / selectivity;

Reference yield: 89.0%

4-hydroxyphenylpropionic acid (501-97-3) → 3-(p-hydroxy-m-iodo-phenyl)propionic acid (53937-19-2) + 3-(3,5-diiodo-4-hydroxyphenyl)-propionic acid (13811-11-5)

Guidance literature:

4-hydroxyphenylpropionic acid; With pyridine; iodine; iodic acid; In water; at 40 ℃; for 2h;

With hydrogenchloride; In water; at 20 ℃; Product distribution / selectivity;

Reference yield: 77.0%

→ 3-(3,5-diiodo-4-hydroxyphenyl)-propionic acid (13811-11-5)

Guidance literature:

upstream raw materials:

4-hydroxyphenylpropionic acid

Downstream raw materials:

3-(p-hydroxy-m-iodo-phenyl)propionic acid

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

C₁₃H₁₁I₂NO₅

C₂₁H₂₀I₄O₆

Refernces

• 1、 Balamurugan,Reddy,Jayakannan. "Amphiphilic ??-conjugated poly(m-phenylene) photosensitizer for the Eu3+ ion: The role of macromolecular chain aggregation on the color tunability of lanthanides". experimental part. p. 10789 - 10800. Retrieved 2011/11/07.
• 2、 -. "PROCESS FOR PRODUCTION OF PHENOL DERIVATIVES SUBSTITUTED WITH IODINE AT ORTHO POSITION". Page/Page column 5. . Retrieved 2010/07/06.