tert-Butyl 4-(3-Aminobenzyl)piperazine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 4-(3-Aminobenzyl)piperazine-1-carboxylate
• CAS No.: 361345-40-6
• Molecular Formula: C16H25N3O2
• Molecular Weight: 291.393
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30427802
• Mol file: 361345-40-6.mol

Synonyms:361345-40-6;tert-Butyl 4-(3-Aminobenzyl)piperazine-1-carboxylate;1-Boc-4-(3-Aminobenzyl)piperazine;Tert-butyl 4-[(3-aminophenyl)methyl]piperazine-1-carboxylate;MFCD06658979;3-(1-BOC-PIPERAZIN-4-YL-METHYL)-ANILINE;4-(3-Amino-benzyl)-piperazine-1-carboxylic acid tert-butyl ester;3-(4-Boc-piperazin-1-yl-methyl)aniline;SCHEMBL266762;ETHYL2-OCTYLACETOACETATE;DTXSID30427802;VKSINZNBWVJILC-UHFFFAOYSA-N;AB3286;AKOS007930859;AB25840;AC-7273;PS-3689;SY005457;A6270;CS-0067924;FT-0604266;t-Butyl 4-(3-aminobenzyl)piperazine-1-carboxylate;J-524605;tert-Butyl 4-(3-aminobenzyl)-piperazine-1-carboxylate;tert-Butyl 4-(3-aminobenzyl)piperazine-1-carboxylate, AldrichCPR

Chemical Property of tert-Butyl 4-(3-Aminobenzyl)piperazine-1-carboxylate

Chemical Property:

• Vapor Pressure: 3.79E-07mmHg at 25°C
• Melting Point: 107 °C
• Refractive Index: 1.567
• Boiling Point: 416.6 °C at 760 mmHg
• PKA: 6.72±0.10(Predicted)
• Flash Point: 205.7 °C
• PSA: 58.80000
• Density: 1.136 g/cm³
• LogP: 2.77850
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 291.19467705
• Heavy Atom Count: 21
• Complexity: 346

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl4-(3-Aminobenzyl)piperazine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)N

Technology Process of tert-Butyl 4-(3-Aminobenzyl)piperazine-1-carboxylate

There total 4 articles about tert-Butyl 4-(3-Aminobenzyl)piperazine-1-carboxylate 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: 98.7%

tert-butyl 4-(3-nitrobenzyl)piperazine-1-carboxylate (203047-33-0) → tert-butyl 4-[(3-aminophenyl)methyl]piperazine-1-carboxylate (361345-40-6)

Guidance literature:

With ammonium chloride; zinc; In tetrahydrofuran; water; at 20 ℃; for 12h;

Reference yield: 98.0%

→ tert-butyl 4-[(3-aminophenyl)methyl]piperazine-1-carboxylate (361345-40-6)

Guidance literature:

Reference yield:

1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-[(3-aminophenyl)methyl]piperazine-1-carboxylate (361345-40-6)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / acetonitrile / 5 h / 20 °C

2: ammonium chloride; zinc / tetrahydrofuran; water / 12 h / 20 °C

With ammonium chloride; N-ethyl-N,N-diisopropylamine; zinc; In tetrahydrofuran; water; acetonitrile;

upstream raw materials:

tert-butyl 4-(3-nitrobenzyl)piperazine-1-carboxylate

1-t-Butoxycarbonylpiperazine

1-bromomethyl-3-nitrobenzene

Downstream raw materials:

tert-butyl 4-[(3-{[4-(2,6-dimethylpyridin-3-yl)oxypyridin-2-yl]-amino}phenyl)-methyl]piperazine-1-carboxylate

4-{3-[4-(4-chloro-3-methoxy-phenylamino)-5-methyl-pyrimidin-2-ylamino]-benzyl}-piperazine-1-carboxylic acid tert butyl ester