4-tert-Butyl-2,6-bis(1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl)iodobenzene

Base Information

Chemical Name:4-tert-Butyl-2,6-bis(1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl)iodobenzene
CAS No.:101697-28-3
Molecular Formula:C16H13 F12 I O2
Molecular Weight:0
Hs Code.:
DSSTox Substance ID:DTXSID00144130
Wikidata:Q83008223
Mol file:101697-28-3.mol

Synonyms:4-tert-butyl-2,6-bis(1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl)iodobenzene;TFM-TFE-IB

Suppliers and Price of 4-tert-Butyl-2,6-bis(1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl)iodobenzene

Supply Marketing:

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

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Chemical Property of 4-tert-Butyl-2,6-bis(1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl)iodobenzene

Chemical Property:

Vapor Pressure:2.41E-06mmHg at 25°C
Boiling Point:376.7°Cat760mmHg
Flash Point:181.6°C
PSA：40.46000
Density:1.746g/cm³
LogP:6.21310
XLogP3:6.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:3
Exact Mass:591.97687
Heavy Atom Count:31
Complexity:567

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC(=C(C(=C1)C(C(F)(F)F)(C(F)(F)F)O)I)C(C(F)(F)F)(C(F)(F)F)O

Technology Process of 4-tert-Butyl-2,6-bis(1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl)iodobenzene

There total 4 articles about 4-tert-Butyl-2,6-bis(1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl)iodobenzene 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:

: 6-bromo-4-tert-butyl-2-<1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl>aniline

: 101697-28-3
4-tert-butyl-2,6-bis<1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl>iodobenzene

Guidance literature:: Multi-step reaction with 4 steps

1: 88 percent

2: 44 percent / n-BuLi / diethyl ether; tetrahydrofuran

3: 22 g / H⁽¹⁺⁾

4: 1.) HNO₂, H₂SO₄, 2.) urea, 3.) KI

With n-butyllithium; sulfuric acid; hydrogen cation; cis-nitrous acid; urea; potassium iodide; In tetrahydrofuran; diethyl ether;
DOI:10.1021/ja00273a041

Reference yield:

: 101697-23-8
1,4-dihydro-8-bromo-6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-2H-<3,1>benzoxazine

: 101697-28-3
4-tert-butyl-2,6-bis<1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl>iodobenzene

Guidance literature:: Multi-step reaction with 3 steps

1: 44 percent / n-BuLi / diethyl ether; tetrahydrofuran

2: 22 g / H⁽¹⁺⁾

3: 1.) HNO₂, H₂SO₄, 2.) urea, 3.) KI

With n-butyllithium; sulfuric acid; hydrogen cation; cis-nitrous acid; urea; potassium iodide; In tetrahydrofuran; diethyl ether;
DOI:10.1021/ja00273a041