TERT-BUTYL 4-(4-AMINO-2-FLUOROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE

Base Information

• Chemical Name: TERT-BUTYL 4-(4-AMINO-2-FLUOROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
• CAS No.: 1000053-23-5
• Molecular Formula: C15H22FN3O2
• Molecular Weight: 309.384
• Hs Code.: 2933399090
• Mol file: 1000053-23-5.mol

Synonyms:TERT-BUTYL 4-(4-AMINO-2-FLUOROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE;tert-Butyl (1-(4-aMino-2-fluorophenyl)piperidin-4-yl)carbaMate

Chemical Property of TERT-BUTYL 4-(4-AMINO-2-FLUOROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE

Chemical Property:

• Melting Point: 110-113°C
• Boiling Point: 478.3±45.0 °C(Predicted)
• PKA: 12.25±0.20(Predicted)
• PSA: 58.80000
• Density: 1.18±0.1 g/cm3(Predicted)
• LogP: 3.04910

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl (1-(4-amino-2-fluorophenyl)-piperidin-4-yl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of TERT-BUTYL 4-(4-AMINO-2-FLUOROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE

There total 5 articles about TERT-BUTYL 4-(4-AMINO-2-FLUOROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE 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: 88.0%

3-fluoro-4-((4-BOC-amino)piperidino)nitrobenzene (392660-18-3) → [1-(4-amino-2-fluorophenyl)piperidin-4-yl]carbamic acid tert-butyl ester (1000053-23-5)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethyl acetate; for 5h; under 3000.3 Torr;

Reference yield: 72.0%

→ [1-(4-amino-2-fluorophenyl)piperidin-4-yl]carbamic acid tert-butyl ester (1000053-23-5)

Guidance literature:

Reference yield:

3,4-difluoronitrobenzene (369-34-6) → [1-(4-amino-2-fluorophenyl)piperidin-4-yl]carbamic acid tert-butyl ester (1000053-23-5)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / methanol / 19 h / 50 - 60 °C

2: dichloromethane / 3 h / 20 - 30 °C

3: hydrogen / palladium 10% on activated carbon / ethyl acetate / 5 h / 3000.3 Torr

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

upstream raw materials:

3,4-difluoronitrobenzene

4-aminopiperidine

3-fluoro-4-((4-BOC-amino)piperidino)nitrobenzene

[3-fluoro-4-(4-aminopiperidino)]nitrobenzene

Downstream raw materials:

{1-[4-(5-bromo-2-hydroxybenzoylamino)-2-fluorophenyl]piperidin-4-yl}carbamic acid tert-butyl ester

(1-{4-[5-chloro-2-(2-methoxyethoxymethoxy)benzoylamino]-2-fluorophenyl}piperidin-4-yl)carbamic acid tert-butyl ester

2-[3-fluoro-4-(4-BOC-aminopiperidino)phenylamino]-6-chloro-3-nitropyridine

2-{[3-fluoro-4-(4-aminopiperidino)]phenyl-amino}-6-(methylamino)-3-nitropyridine

Refernces

• 1、 -. "NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME". . . Retrieved 2012/01/03.
• 2、 -. "N-(3,4-disubstituted phenyl) salicylamide derivatives". Page/Page column 45. . Retrieved 2008/12/07.