4-Benzyl-1-(Boc-amino-acetyl)-piperazine

Base Information

• Chemical Name: 4-Benzyl-1-(Boc-amino-acetyl)-piperazine
• CAS No.: 671212-34-3
• Molecular Formula: C18H27 N3 O3
• Molecular Weight: 333.431
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID70590448
• Wikidata: Q82484142
• Mol file: 671212-34-3.mol

Synonyms:671212-34-3;4-Benzyl-1-(Boc-amino-acetyl)-piperazine;tert-butyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate;tert-Butyl (2-(4-benzylpiperazin-1-yl)-2-oxoethyl)carbamate;MFCD06796415;(2-[4-Benzyl-piperazin-1-yl]-2-oxo-ethyl)-carbamic acid tert-butyl ester;tert-Butyl [2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate;[2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-carbamic acid tert-butyl ester;TERT-BUTYL 2-(4-BENZYLPIPERAZIN-1-YL)-2-OXOETHYLCARBAMATE;SCHEMBL1222005;DTXSID70590448;QKFOEFYDUDKSJM-UHFFFAOYSA-N;AKOS015996535;DB-016293;(2-[4-BENZYL-PIPERAZIN-1-YL]-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER

Chemical Property of 4-Benzyl-1-(Boc-amino-acetyl)-piperazine

Chemical Property:

• Vapor Pressure: 8.86E-10mmHg at 25°C
• Boiling Point: 490.8°C at 760 mmHg
• Flash Point: 250.6°C
• PSA: 61.88000
• Density: 1.137g/cm³
• LogP: 2.12220
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 333.20524173
• Heavy Atom Count: 24
• Complexity: 420

Purity/Quality:

99.0%Min ^*data from raw suppliers

tert-Butyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Benzyl-1-(Boc-amino-acetyl)-piperazine

There total 1 articles about 4-Benzyl-1-(Boc-amino-acetyl)-piperazine 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: 70.0%

BOC-glycine (4530-20-5) + 1-phenylmethylpiperazine (2759-28-6) → [2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-carbamic acid tert-butyl ester (671212-34-3)

Guidance literature:

BOC-glycine; With 1-hydroxy-pyrrolidine-2,5-dione; dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; for 21h;

1-phenylmethylpiperazine; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1016/j.bmc.2003.10.025

Reference yield: 75.0%

[2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-carbamic acid tert-butyl ester (671212-34-3) → tert-butyl (2-oxo-2-(piperazin-1-yl)ethyl)carbamate (525587-00-2)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; for 8h; Heating;

DOI:10.1016/j.bmc.2003.10.025

Reference yield:

[2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-carbamic acid tert-butyl ester (671212-34-3) → 2-amino-1-(4-benzylpiperazin-1-yl)ethanone dihydrochloride (1220018-02-9)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 1h;

DOI:10.1016/j.bmc.2013.09.044

upstream raw materials:

BOC-glycine

1-phenylmethylpiperazine

Downstream raw materials:

tert-butyl (2-oxo-2-(piperazin-1-yl)ethyl)carbamate

2-amino-1-(4-benzoyl-piperazin-1-yl)-ethanone

2-amino-1-[4-(4-fluoro-benzenesulfonyl)-piperazin-1-yl]-ethanone

[2-(4-benzoyl-piperazin-1-yl)-2-oxo-ethyl]-carbamic acid tert-butyl ester

Refernces

• 1、 Koch, Pierre,Akkari, Rhalid,Brunschweiger, Andreas,Borrmann, Thomas,Schlenk, Miriam,Küppers, Petra,K?se, Meryem,Radjainia, Hamid,Hockemeyer, J?rg,Drabczyńska, Anna,Kie?-Kononowicz, Katarzyna,Müller, Christa E.. "1,3-Dialkyl-substituted tetrahydropyrimido[1,2-f]purine-2,4-diones as multiple target drugs for the potential treatment of neurodegenerative diseases". . p. 7435 - 7452. Retrieved 2013/11/19.