2‐[2‐bromo‐5‐tert‐butyl‐3‐(1,1,1,3,3,3‐hexafluoro‐2‐hydroxypropan‐2‐yl)phenyl]‐1,1,1,3,3,3‐hexafluoropropan‐2‐ol

Base Information

Chemical Name:2‐[2‐bromo‐5‐tert‐butyl‐3‐(1,1,1,3,3,3‐hexafluoro‐2‐hydroxypropan‐2‐yl)phenyl]‐1,1,1,3,3,3‐hexafluoropropan‐2‐ol
CAS No.:101697-26-1
Molecular Formula:C₁₆H₁₃BrF₁₂O₂
Molecular Weight:545.163
Hs Code.:

Synonyms:2‐[2‐bromo‐5‐tert‐butyl‐3‐(1,1,1,3,3,3‐hexafluoro‐2‐hydroxypropan‐2‐yl)phenyl]‐1,1,1,3,3,3‐hexafluoropropan‐2‐ol

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Chemical Property of 2‐[2‐bromo‐5‐tert‐butyl‐3‐(1,1,1,3,3,3‐hexafluoro‐2‐hydroxypropan‐2‐yl)phenyl]‐1,1,1,3,3,3‐hexafluoropropan‐2‐ol

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Technology Process of 2‐[2‐bromo‐5‐tert‐butyl‐3‐(1,1,1,3,3,3‐hexafluoro‐2‐hydroxypropan‐2‐yl)phenyl]‐1,1,1,3,3,3‐hexafluoropropan‐2‐ol

There total 9 articles about 2‐[2‐bromo‐5‐tert‐butyl‐3‐(1,1,1,3,3,3‐hexafluoro‐2‐hydroxypropan‐2‐yl)phenyl]‐1,1,1,3,3,3‐hexafluoropropan‐2‐ol 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: 57.0%

: 1,3‐bis(2,2,2‐trifluoroethyl) 2‐bromo‐5‐tert‐butylbenzene‐1,3‐dicarboxylate

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 101697-26-1
2‐[2‐bromo‐5‐tert‐butyl‐3‐(1,1,1,3,3,3‐hexafluoro‐2‐hydroxypropan‐2‐yl)phenyl]‐1,1,1,3,3,3‐hexafluoropropan‐2‐ol

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 - 20 ℃; for 18h; Inert atmosphere;
DOI:10.1002/anie.202104677

Reference yield:

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

: 101697-26-1
2‐[2‐bromo‐5‐tert‐butyl‐3‐(1,1,1,3,3,3‐hexafluoro‐2‐hydroxypropan‐2‐yl)phenyl]‐1,1,1,3,3,3‐hexafluoropropan‐2‐ol

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.) 48percent aq. HBr, conc. H₂SO₄, NaNO₂, 2.) Cu / 1.) acetic acid, 10 deg C, 1.5 h, 2.) 100 deg C, 1.5 h

With n-butyllithium; sulfuric acid; hydrogen bromide; hydrogen cation; copper; sodium nitrite; 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

: 101697-26-1
2‐[2‐bromo‐5‐tert‐butyl‐3‐(1,1,1,3,3,3‐hexafluoro‐2‐hydroxypropan‐2‐yl)phenyl]‐1,1,1,3,3,3‐hexafluoropropan‐2‐ol

Guidance literature:: Multi-step reaction with 3 steps

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

2: 22 g / H⁽¹⁺⁾

3: 1.) 48percent aq. HBr, conc. H₂SO₄, NaNO₂, 2.) Cu / 1.) acetic acid, 10 deg C, 1.5 h, 2.) 100 deg C, 1.5 h

With n-butyllithium; sulfuric acid; hydrogen bromide; hydrogen cation; copper; sodium nitrite; In tetrahydrofuran; diethyl ether;
DOI:10.1021/ja00273a041