5-fluoro-2-[4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)butyl]phenol

Base Information

Chemical Name:5-fluoro-2-[4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)butyl]phenol
CAS No.:1562399-48-7
Molecular Formula:C₁₉H₁₉F₄N₃O₂
Molecular Weight:397.372
Hs Code.:

Synonyms:5-fluoro-2-[4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)butyl]phenol

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Chemical Property of 5-fluoro-2-[4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)butyl]phenol

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Technology Process of 5-fluoro-2-[4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)butyl]phenol

There total 11 articles about 5-fluoro-2-[4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)butyl]phenol 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: 70.0%

: 1562399-36-3
1,1,1-trifluoro-4-(3-fluoro-2-methoxyphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol

: 1562399-48-7
5-fluoro-2-[4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)butyl]phenol

Guidance literature:: With boron tribromide; In dichloromethane; at 0 - 4 ℃; for 18h; Inert atmosphere;
DOI:10.1021/jm4019178

Reference yield:

: 1481-27-2
4-Fluoro-2-hydroxyacetophenone

: 1562399-48-7
5-fluoro-2-[4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)butyl]phenol

Guidance literature:: Multi-step reaction with 11 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 20 °C / Inert atmosphere

2.1: benzylamine; acetic acid / toluene / 16 h / Inert atmosphere; Dean-Stark; Reflux

3.1: copper(l) iodide / diethyl ether / 0.42 h / 0 - 15 °C / Inert atmosphere

3.2: 2.33 h / 20 °C / Inert atmosphere

4.1: sodium chloride / dimethyl sulfoxide; water / 4 h / Inert atmosphere; Reflux

5.1: diisobutylaluminium hydride / dichloromethane / 16 h / -40 - 20 °C / Inert atmosphere

6.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.5 h / Inert atmosphere

7.1: Dess-Martin periodane / dichloromethane / 1 h / Inert atmosphere

8.1: mercury dichloride; aluminium / tetrahydrofuran; toluene / 2 h / 20 - 40 °C / Inert atmosphere

8.2: 2 h / -78 - 20 °C / Inert atmosphere

9.1: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / N,N-dimethyl-formamide / 15 h / 20 °C / Inert atmosphere

10.1: potassium tert-butylate / 1-methyl-pyrrolidin-2-one / 17 h / 20 °C / Inert atmosphere

11.1: boron tribromide / dichloromethane / 18 h / 0 - 4 °C / Inert atmosphere

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; potassium tert-butylate; tetrabutyl ammonium fluoride; boron tribromide; diisobutylaluminium hydride; potassium carbonate; Dess-Martin periodane; acetic acid; triethylamine; aluminium; benzylamine; sodium chloride; mercury dichloride; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; diethyl ether; dichloromethane; water; dimethyl sulfoxide; N,N-dimethyl-formamide; toluene; 9.1: |Sonogashira Cross-Coupling;
DOI:10.1021/jm4019178

Reference yield:

: 1562399-32-9
C₁₆H₁₈F₄O₂

: 1562399-48-7
5-fluoro-2-[4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)butyl]phenol

Guidance literature:: Multi-step reaction with 3 steps

1: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / N,N-dimethyl-formamide / 15 h / 20 °C / Inert atmosphere

2: potassium tert-butylate / 1-methyl-pyrrolidin-2-one / 17 h / 20 °C / Inert atmosphere

3: boron tribromide / dichloromethane / 18 h / 0 - 4 °C / Inert atmosphere

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; potassium tert-butylate; boron tribromide; triethylamine; In 1-methyl-pyrrolidin-2-one; dichloromethane; N,N-dimethyl-formamide; 1: |Sonogashira Cross-Coupling;
DOI:10.1021/jm4019178