(S)-1-[(R)-2-Methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-2-methyl-4-(4-methyl-piperidin-4-yl)-piperazine

Base Information

• Chemical Name: (S)-1-[(R)-2-Methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-2-methyl-4-(4-methyl-piperidin-4-yl)-piperazine
• CAS No.: 696601-20-4
• Molecular Formula: C21H32F3N3O
• Molecular Weight: 399.5
• Hs Code.: 2933599090
• Mol file: 696601-20-4.mol

Synonyms:(S)-1-((R)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-2-methyl-4-(4-methylpiperidin-4-yl)piperazine;

Chemical Property of (S)-1-[(R)-2-Methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-2-methyl-4-(4-methyl-piperidin-4-yl)-piperazine

Chemical Property:

• Boiling Point: 431.6±45.0 °C(Predicted)
• PKA: 10.51±0.10(Predicted)
• PSA: 27.74000
• Density: 1.125±0.06 g/cm3(Predicted)
• LogP: 3.74570

Purity/Quality:

98% ^*data from raw suppliers

(S)-1-[(R)-2-METHOXY-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHYL]-2-METHYL-4-(4-METHYL-PIPERIDIN-4-YL)-PIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-1-[(R)-2-Methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-2-methyl-4-(4-methyl-piperidin-4-yl)-piperazine

There total 9 articles about (S)-1-[(R)-2-Methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-2-methyl-4-(4-methyl-piperidin-4-yl)-piperazine 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: 100.0%

4-{(S)-4-[(R)-2-Methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidine-1-carboxylic acid tert-butyl ester (306298-26-0) → (S)-1-[(R)-2-Methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-2-methyl-4-(4-methyl-piperidin-4-yl)-piperazine (696601-20-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1021/jm0304515

Reference yield:

2-methoxy-1-(4-(trifluoromethyl)phenyl)ethan-1-one (26771-69-7) → (S)-1-[(R)-2-Methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-2-methyl-4-(4-methyl-piperidin-4-yl)-piperazine (696601-20-4)

Guidance literature:

Multi-step reaction with 7 steps

1.1: borane dimethylsulfide; (S)-2-methyl-CBS-oxaborolidine / 1 h

2.1: triethylamine / CH₂Cl₂ / 0.5 h / cooling

3.1: 14.8 g / K₂CO₃ / acetonitrile / 72 h / Heating

4.1: 7.9 g / trifluoroacetic acid / CH₂Cl₂ / 3 h / 20 °C

5.1: Ti(OiPr)4 / CH₂Cl₂ / 20 h / 20 °C

5.2: 13.4 g / CH₂Cl₂; toluene / 20 h

6.1: 76 percent / tetrahydrofuran / 48 h / 20 °C

7.1: 100 percent / trifluoroacetic acid / CH₂Cl₂ / 6 h / 20 °C

With titanium(IV) isopropylate; dimethylsulfide borane complex; potassium carbonate; triethylamine; trifluoroacetic acid; (S)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole; In tetrahydrofuran; dichloromethane; acetonitrile;

DOI:10.1021/jm0304515

Reference yield:

N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → (S)-1-[(R)-2-Methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-2-methyl-4-(4-methyl-piperidin-4-yl)-piperazine (696601-20-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: Ti(OiPr)4 / CH₂Cl₂ / 20 h / 20 °C

1.2: 13.4 g / CH₂Cl₂; toluene / 20 h

2.1: 76 percent / tetrahydrofuran / 48 h / 20 °C

3.1: 100 percent / trifluoroacetic acid / CH₂Cl₂ / 6 h / 20 °C

With titanium(IV) isopropylate; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm0304515

upstream raw materials:

4-{(S)-4-[(R)-2-Methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidine-1-carboxylic acid tert-butyl ester

2-methoxy-1-(4-(trifluoromethyl)phenyl)ethan-1-one

N-tert-butyloxycarbonylpiperidin-4-one

(S)-2-methoxy-1-(4-trifluoromethylphenyl)ethanol

Downstream raw materials:

C₃₃H₄₆F₃N₅O₃

vicriviroc

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