4-[(4-FLUOROPHENYL)METHYL]-1,1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER

Base Information

• Chemical Name: 4-[(4-FLUOROPHENYL)METHYL]-1,1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER
• CAS No.: 77278-77-4
• Molecular Formula: C16H23 F N2 O2
• Molecular Weight: 294.369
• Hs Code.: 2933599090
• Mol file: 77278-77-4.mol

Synonyms:4-(4-Fluorobenzyl)piperazine-1-carboxylicacid tert-butyl ester

Chemical Property of 4-[(4-FLUOROPHENYL)METHYL]-1,1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER

Chemical Property:

• Vapor Pressure: 1.41E-05mmHg at 25°C
• Refractive Index: 1.528
• Boiling Point: 367°C at 760 mmHg
• Flash Point: 175.7°C
• PSA: 32.78000
• Density: 1.139g/cm³
• LogP: 2.75420

Purity/Quality:

99%min ^*data from raw suppliers

4-[(4-FLUOROPHENYL)METHYL]-1,1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-[(4-FLUOROPHENYL)METHYL]-1,1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER

There total 3 articles about 4-[(4-FLUOROPHENYL)METHYL]-1,1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER 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-Fluorobenzyl bromide (459-46-1) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(4-fluorobenzyl)piperazine-1-tert-butoxycarbonyl ester (77278-77-4)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 22h;

Reference yield:

1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(4-fluorobenzyl)piperazine-1-tert-butoxycarbonyl ester (77278-77-4)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bioorg.2019.103130

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → 4-(4-fluorobenzyl)piperazine-1-tert-butoxycarbonyl ester (77278-77-4)

Guidance literature:

Multi-step reaction with 3 steps

1: methanol / 20 °C

2: hydrogen; palladium 10% on activated carbon / methanol / 20 °C

3: triethylamine / dichloromethane / 0 - 20 °C

With palladium 10% on activated carbon; hydrogen; triethylamine; In methanol; dichloromethane;

upstream raw materials:

4-Fluorobenzyl bromide

1-t-Butoxycarbonylpiperazine

di-tert-butyl dicarbonate

Downstream raw materials:

1-(4-fluorobenzyl)piperazine monohydrochloride

1-(4-fluorophenylmethyl)piperazine

Refernces

• 1、 -. "1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS". Page/Page column 120. . Retrieved 2017/02/28.
• 2、 -. "NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS". Page/Page column 22. . Retrieved 2010/06/22.