(S)-4-(3-fluorophenyl)-7-((4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-1H-1,2,3-triazol-1-yl)methyl)-2H-chromen-2-one

Base Information

Chemical Name:(S)-4-(3-fluorophenyl)-7-((4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-1H-1,2,3-triazol-1-yl)methyl)-2H-chromen-2-one
CAS No.:1044277-01-1
Molecular Formula:C₂₂H₁₇F₄N₃O₃
Molecular Weight:447.389
Hs Code.:
Mol file:1044277-01-1.mol

Synonyms:(S)-4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one;

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Chemical Property of (S)-4-(3-fluorophenyl)-7-((4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-1H-1,2,3-triazol-1-yl)methyl)-2H-chromen-2-one

Chemical Property:

PSA：81.15000
LogP:4.39880

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Technology Process of (S)-4-(3-fluorophenyl)-7-((4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-1H-1,2,3-triazol-1-yl)methyl)-2H-chromen-2-one

There total 12 articles about (S)-4-(3-fluorophenyl)-7-((4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-1H-1,2,3-triazol-1-yl)methyl)-2H-chromen-2-one 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:

: 1044277-09-9
(1S)-1-(1-{[4-(3-fluorophenyl)-2-oxo-2H-chromen-7-yl]-methyl}-1H-1,2,3-triazol-4-yl)-1-(trifluoromethyl)propyl 4-nitrobenzoate

: 1044277-01-1
(1S)-1-(1-{[4-(3-fluorophenyl)-2-oxo-2H-chromen-7-yl]-methyl}-1H-1,2,3-triazol-4-yl)-1-(trifluoromethyl)propyl 4-nitrobenzoate

Guidance literature:: (1S)-1-(1-{[4-(3-fluorophenyl)-2-oxo-2H-chromen-7-yl]-methyl}-1H-1,2,3-triazol-4-yl)-1-(trifluoromethyl)propyl 4-nitrobenzoate; With water; lithium hydroxide; In tetrahydrofuran; at -10 ℃; for 4h; Large scale reaction;

With hydrogenchloride; In tetrahydrofuran; water; at 0 - 20 ℃; for 18h; Large scale reaction;
DOI:10.1021/op200299p

Reference yield:

: 108-39-4
3-methyl-phenol

: 1044277-01-1
(1S)-1-(1-{[4-(3-fluorophenyl)-2-oxo-2H-chromen-7-yl]-methyl}-1H-1,2,3-triazol-4-yl)-1-(trifluoromethyl)propyl 4-nitrobenzoate

Guidance literature:: Multi-step reaction with 8 steps

1.1: sodium hydroxide

2.1: aluminum (III) chloride / toluene / 90 °C

3.1: potassium 2-methylbutan-2-olate / 100 °C

4.1: palladium diacetate; sodium carbonate

5.1: N-Bromosuccinimide; dibenzoyl peroxide / acetonitrile / 2 h / 78 - 82 °C / Large scale reaction

6.1: sodium azide / ethanol / 3 h / 60 °C / Large scale reaction

7.1: copper(l) iodide; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 24 h / 30 °C / Large scale reaction

8.1: water; lithium hydroxide / tetrahydrofuran / 4 h / -10 °C / Large scale reaction

8.2: 18 h / 0 - 20 °C / Large scale reaction

With aluminum (III) chloride; N-Bromosuccinimide; copper(l) iodide; sodium azide; water; palladium diacetate; potassium 2-methylbutan-2-olate; sodium carbonate; N-ethyl-N,N-diisopropylamine; sodium hydroxide; lithium hydroxide; dibenzoyl peroxide; In tetrahydrofuran; ethanol; toluene; acetonitrile; 2.1: Fries rearrangement / 4.1: Suzuki coupling;
DOI:10.1021/op200299p

Reference yield:

: 6921-64-8
4'-hydroxy-2'-methylacetophenone

: 1044277-01-1
(1S)-1-(1-{[4-(3-fluorophenyl)-2-oxo-2H-chromen-7-yl]-methyl}-1H-1,2,3-triazol-4-yl)-1-(trifluoromethyl)propyl 4-nitrobenzoate

Guidance literature:: Multi-step reaction with 6 steps

1.1: potassium 2-methylbutan-2-olate / 100 °C

2.1: palladium diacetate; sodium carbonate

3.1: N-Bromosuccinimide; dibenzoyl peroxide / acetonitrile / 2 h / 78 - 82 °C / Large scale reaction

4.1: sodium azide / ethanol / 3 h / 60 °C / Large scale reaction

5.1: copper(l) iodide; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 24 h / 30 °C / Large scale reaction

6.1: water; lithium hydroxide / tetrahydrofuran / 4 h / -10 °C / Large scale reaction

6.2: 18 h / 0 - 20 °C / Large scale reaction

With N-Bromosuccinimide; copper(l) iodide; sodium azide; water; palladium diacetate; potassium 2-methylbutan-2-olate; sodium carbonate; N-ethyl-N,N-diisopropylamine; lithium hydroxide; dibenzoyl peroxide; In tetrahydrofuran; ethanol; acetonitrile; 2.1: Suzuki coupling;
DOI:10.1021/op200299p