4-(4-Acetyl-piperazin-1-yl)-2-trifluoromethylaniline

Base Information

• Chemical Name: 4-(4-Acetyl-piperazin-1-yl)-2-trifluoromethylaniline
• CAS No.: 914348-88-2
• Molecular Formula: C13H16F3N3O
• Molecular Weight: 287.285
• Hs Code.: 2933599090
• Mol file: 914348-88-2.mol

Synonyms:Piperazine, 1-acetyl-4-[4-amino-2-(trifluoromethyl)phenyl]-(9CI);1-[4-(4-Amino-2-trifluoromethylphenyl)piperazin-1-yl]ethanone;

Chemical Property of 4-(4-Acetyl-piperazin-1-yl)-2-trifluoromethylaniline

Chemical Property:

• Boiling Point: 463.7 °C at 760 mmHg
• Flash Point: 234.2 °C
• PSA: 49.57000
• Density: 1.306g/cm³
• LogP: 2.54020

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-Acetylpiperazin-1-yl)-3-(trifluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(4-Acetyl-piperazin-1-yl)-2-trifluoromethylaniline

There total 5 articles about 4-(4-Acetyl-piperazin-1-yl)-2-trifluoromethylaniline 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:

C13H14F3N3O3 → 1-(4-(4-amino-2-(trifluoromethyl)phenyl)piperazin-1-yl)ethan-1-one (914348-88-2)

Guidance literature:

With sodium tetrahydroborate; nickel(II) chloride hexahydrate; In methanol; dichloromethane; at 0 ℃; for 1h;

DOI:10.1016/j.bmc.2020.115680

Reference yield:

2-Fluoro-5-nitrobenzotrifluoride (400-74-8) → 1-(4-(4-amino-2-(trifluoromethyl)phenyl)piperazin-1-yl)ethan-1-one (914348-88-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dimethyl sulfoxide / 4 h / 90 °C

2: nickel(II) chloride hexahydrate; sodium tetrahydroborate / methanol; dichloromethane / 1 h / 0 °C

With sodium tetrahydroborate; nickel(II) chloride hexahydrate; potassium carbonate; In methanol; dichloromethane; dimethyl sulfoxide;

DOI:10.1016/j.bmc.2020.115680

Reference yield:

N-acetylpiperidine (13889-98-0) → 1-(4-(4-amino-2-(trifluoromethyl)phenyl)piperazin-1-yl)ethan-1-one (914348-88-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dimethyl sulfoxide / 4 h / 90 °C

2: nickel(II) chloride hexahydrate; sodium tetrahydroborate / methanol; dichloromethane / 1 h / 0 °C

With sodium tetrahydroborate; nickel(II) chloride hexahydrate; potassium carbonate; In methanol; dichloromethane; dimethyl sulfoxide;

DOI:10.1016/j.bmc.2020.115680

upstream raw materials:

2-Fluoro-5-nitrobenzotrifluoride

N-acetylpiperidine

4-chloro-3-(trifluoromethyl)nitrobenzene

1-[4-nitro-2-(trifluoromethyl)phenyl]piperazine

Downstream raw materials:

C₂₅H₂₄ClF₃N₄O₃

Refernces

• 1、 Chen, Wenteng,Liu, Shuangrong,Liu, Xingyu,Pan, Youlu,Shao, Jiaan. "Design, synthesis and SAR study of 2-aminopyrimidines with diverse Michael addition acceptors for chemically tuning the potency against EGFRL858R/T790M". . . Retrieved 2020/08/10.