3-[4-(3,5-Ditert-butyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid

Base Information

Chemical Name:3-[4-(3,5-Ditert-butyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
CAS No.:551-90-6
Molecular Formula:C₂₃H₂₈I₂O₄
Molecular Weight:622.282
Hs Code.:
DSSTox Substance ID:DTXSID601023932
Nikkaji Number:J6.716D
Mol file:551-90-6.mol

Synonyms:551-90-6;SCHEMBL554462;DTXSID601023932;4-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenoxy]-3,5-diiodobenzenepropanoic acid

Suppliers and Price of 3-[4-(3,5-Ditert-butyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic 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

Total 4 raw suppliers

Chemical Property of 3-[4-(3,5-Ditert-butyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid

Chemical Property:

Vapor Pressure:6.85E-13mmHg at 25°C
Boiling Point:549.1°C at 760 mmHg
Flash Point:285.9°C
Density:1.637g/cm³
XLogP3:7.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:622.00770
Heavy Atom Count:29
Complexity:518

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC2=C(C=C(C=C2I)CCC(=O)O)I

Technology Process of 3-[4-(3,5-Ditert-butyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid

There total 4 articles about 3-[4-(3,5-Ditert-butyl-4-hydroxyphenoxy)-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:

: 2379-16-0
3-[4-(3,5-di-tert-butyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]-propionic acid ethyl ester

: 551-90-6
3-[4-(3,5-di-tert-butyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]-propionic acid

Guidance literature:: DOI:10.1021/jm00328a012 DOI:10.1126/science.127.3301.756

Reference yield:

: 2444-28-2
2,6-di-tert-butyl-4-hydroxyphenol

: 551-90-6
3-[4-(3,5-di-tert-butyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]-propionic acid

Guidance literature:: Multi-step reaction with 3 steps

1: MeSO₂Cl

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

3: aq. HCl / acetic acid

With hydrogenchloride; methanesulfonyl chloride; In acetic acid;
DOI:10.1021/jm00328a012

Reference yield:

: 719-22-2
2,6-Di-tert-butyl-1,4-benzoquinone

: 551-90-6
3-[4-(3,5-di-tert-butyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]-propionic acid

Guidance literature:: Multi-step reaction with 4 steps

1: Zn, AcOH

2: MeSO₂Cl

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

4: aq. HCl / acetic acid

With hydrogenchloride; acetic acid; methanesulfonyl chloride; zinc; In acetic acid;
DOI:10.1021/jm00328a012