3,5-Diiodothyropropionic acid

Base Information

Chemical Name:3,5-Diiodothyropropionic acid
CAS No.:1158-10-7
Deprecated CAS:54578-40-4
Molecular Formula:C15H12 I2 O4
Molecular Weight:510.067
Hs Code.:2918990090
European Community (EC) Number:621-102-7
UNII:1HTO2X0SJ9
DSSTox Substance ID:DTXSID8040939
Nikkaji Number:J524.618K
Wikidata:Q27252433
Metabolomics Workbench ID:153582
ChEMBL ID:CHEMBL2348292
Mol file:1158-10-7.mol

Synonyms:3,5-diiodothyropropionic acid;3,5-DITPA;DITPA cpd

Suppliers and Price of 3,5-Diiodothyropropionic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
3,5-DIIODO-4-(4-HYDROXYPHENOXY)HYDROCINNAMIC ACID Aldrich
50mg
$ 144.00

Crysdot
3-(4-(4-Hydroxyphenoxy)-3,5-diiodophenyl)propanoicacid 95+%
1g
$ 371.00

Cayman Chemical
3,5-Diiodothyropropionic Acid ≥98%
100mg
$ 126.00

Cayman Chemical
3,5-Diiodothyropropionic Acid ≥98%
50mg
$ 67.00

Cayman Chemical
3,5-Diiodothyropropionic Acid ≥98%
25mg
$ 35.00

Total 14 raw suppliers

Chemical Property of 3,5-Diiodothyropropionic acid

Chemical Property:

Vapor Pressure:2.72E-12mmHg at 25°C
Melting Point:235-238 °C
Boiling Point:535.3°Cat760mmHg
PKA:4.54±0.10(Predicted)
Flash Point:277.6°C
PSA：66.76000
Density:2.068g/cm³
LogP:4.41090
Storage Temp.:2-8°C
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:509.88250
Heavy Atom Count:21
Complexity:333

Purity/Quality:

97% ^*data from raw suppliers

3,5-DIIODO-4-(4-HYDROXYPHENOXY)HYDROCINNAMIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CCC(=O)O)I
Recent ClinicalTrials:A Thyroid Hormone Analog to Fight Heart Failure: Phase II Trial (DITPA)
Uses 3,5-Diiodothyropropionic acid is an ionotropic analog of L-thyroxine.

Technology Process of 3,5-Diiodothyropropionic acid

There total 18 articles about 3,5-Diiodothyropropionic 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:

: 103-16-2
4-Benzyloxyphenol

: 1158-10-7
3-[4-(4-hydroxy-phenoxy)-3,5-diiodo-phenyl]-propionic acid

Guidance literature:: Multi-step reaction with 5 steps

1: Py / benzene

2: H₂ / Pd-C / ethanol

3: (i) (nitration), (ii) /BRN= 2050596/, MeSO₂Cl

4: (i) (catalytic hydrogenation), (ii) NaNO₂, H₂SO₄, (iii) aq. NaI, I₂, CHCl₃, urea

5: aq. HCl / acetic acid

With pyridine; hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; acetic acid; benzene;
DOI:10.1021/jm00328a012

Reference yield:

: 2444-21-5
(4'-benzyloxyphenyl)benzoate

: 1158-10-7
3-[4-(4-hydroxy-phenoxy)-3,5-diiodo-phenyl]-propionic acid

Guidance literature:: Multi-step reaction with 4 steps

1: H₂ / Pd-C / ethanol

2: (i) (nitration), (ii) /BRN= 2050596/, MeSO₂Cl

3: (i) (catalytic hydrogenation), (ii) NaNO₂, H₂SO₄, (iii) aq. NaI, I₂, CHCl₃, urea

4: aq. HCl / acetic acid

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; acetic acid;
DOI:10.1021/jm00328a012