4-(3-AMINOMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Base Information

• Chemical Name: 4-(3-AMINOMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
• CAS No.: 889948-55-4
• Molecular Formula: C16H25 N3 O2
• Molecular Weight: 291.393
• Hs Code.: 2933599090
• Mol file: 889948-55-4.mol

Synonyms:tert-Butyl4-(3-(aminomethyl)phenyl)piperazine-1-carboxylate

Chemical Property of 4-(3-AMINOMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Chemical Property:

• Boiling Point: 441.8±45.0 °C(Predicted)
• PKA: 9.37±0.10(Predicted)
• PSA: 58.80000
• Density: 1.121±0.06 g/cm3(Predicted)
• LogP: 2.90560

Purity/Quality:

97% ^*data from raw suppliers

1-(3-aminomethyl-phenyl)-piperazine-4-carboxylicacidtert-butylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(3-AMINOMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

There total 7 articles about 4-(3-AMINOMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL 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%

1,1-dimethylethyl 4-(3-cyanophenyl)piperazine-1-carboxylate (807624-20-0) → 1,1-dimethylethyl 4-[3-(aminomethyl)phenyl]piperazine-1-carboxylate (889948-55-4)

Guidance literature:

With ammonia; hydrogen; nickel; In tetrahydrofuran; methanol; water; at 20 ℃; for 4h; under 760.051 Torr;

DOI:10.1016/j.bmc.2016.09.009

Reference yield: 100.0%

→ 1,1-dimethylethyl 4-[3-(aminomethyl)phenyl]piperazine-1-carboxylate (889948-55-4)

Guidance literature:

Reference yield:

1-(3-bromophenyl)piperazine (31197-30-5) → 1,1-dimethylethyl 4-[3-(aminomethyl)phenyl]piperazine-1-carboxylate (889948-55-4)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / tetrahydrofuran / 3 h / 20 °C

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / 12 h / 80 °C / Inert atmosphere

3: hydrogen; nickel; ammonia / methanol; water; tetrahydrofuran / 4 h / 20 °C / 760.05 Torr

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; ammonia; hydrogen; nickel; triethylamine; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2016.09.009

upstream raw materials:

1-(3-bromophenyl)piperazine

1,1-dimethylethyl 4-(3-bromophenyl)piperazine-1-carboxylate

1,1-dimethylethyl 4-(3-cyanophenyl)piperazine-1-carboxylate

di-tert-butyl dicarbonate

Downstream raw materials:

N-[(3-{4-[(2,5-dioxoimidazolidin-4-yl)acetyl]piperazin-1-yl}phenyl)methyl]-4-oxo-3,4-dihydroquinazoline-2-carboxamide

4-oxo-N-[(3-{4-[(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)acetyl]piperazin-1-yl}phenyl)methyl]-3,4-dihydroquinazoline-2-carboxamide

4-oxo-N-[(3-{4-[(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetyl]piperazin-1-yl}phenyl)methyl]-3,4-dihydroquinazoline-2-carboxamide

N-({3-[4-(1H-imidazol-4-ylacetyl)piperazin-1-yl]phenyl}methyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide

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