1,1,1,3,3,3-hexafluoro-2-(4-(2-(4-pyridinylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol

Base Information

• Chemical Name: 1,1,1,3,3,3-hexafluoro-2-(4-(2-(4-pyridinylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol
• CAS No.: 1534361-70-0
• Molecular Formula: C₂₃H₂₁F₆N₃O₃S₂
• Molecular Weight: 565.56
• Mol file: 1534361-70-0.mol

Synonyms:

Chemical Property of 1,1,1,3,3,3-hexafluoro-2-(4-(2-(4-pyridinylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1,1,1,3,3,3-hexafluoro-2-(4-(2-(4-pyridinylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol

There total 5 articles about 1,1,1,3,3,3-hexafluoro-2-(4-(2-(4-pyridinylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol 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: 3.0%

2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol (2402-72-4) + 3-(pyridin-4-ylmethyl)-1-(thiophen-2-ylsulfonyl)piperazine (1534361-90-4) → 1,1,1,3,3,3-hexafluoro-2-(4-(2-(4-pyridinylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol (1534361-70-0)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium t-butanolate; ruphos; In N,N-dimethyl-formamide; toluene; at 100 ℃; Heating; Sealed tube;

DOI:10.1021/jm4016735

Reference yield:

(S)-2-((tert-butoxycarbonyl)amino)-3-(pyridin-4-yl)propanoic acid (37535-57-2) → 1,1,1,3,3,3-hexafluoro-2-(4-(2-(4-pyridinylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol (1534361-70-0)

Guidance literature:

Multi-step reaction with 5 steps

1.1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide

1.2: 1 h / 20 °C

2.1: triethylamine / methanol / 48 h / 65 °C / Heating

3.1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 48 h / 20 °C

4.1: triethylamine / dichloromethane

5.1: sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; ruphos / toluene; N,N-dimethyl-formamide / 100 °C / Heating; Sealed tube

With sodium tetrahydroborate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; boron trifluoride diethyl etherate; triethylamine; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; sodium t-butanolate; ruphos; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm4016735

Reference yield:

(S)-methyl 2-(2-((tert-butoxycarbonyl)amino)-3-(pyridin-4-yl)propanamido)acetate → 1,1,1,3,3,3-hexafluoro-2-(4-(2-(4-pyridinylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol (1534361-70-0)

Guidance literature:

Multi-step reaction with 4 steps

1: triethylamine / methanol / 48 h / 65 °C / Heating

2: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 48 h / 20 °C

3: triethylamine / dichloromethane

4: sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; ruphos / toluene; N,N-dimethyl-formamide / 100 °C / Heating; Sealed tube

With sodium tetrahydroborate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; boron trifluoride diethyl etherate; triethylamine; sodium t-butanolate; ruphos; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm4016735

upstream raw materials:

(S)-2-((tert-butoxycarbonyl)amino)-3-(pyridin-4-yl)propanoic acid

3-(pyridin-4-ylmethyl)piperazine-2,5-dione

2-(pyridin-4-yl-methyl)piperazine

2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol