1-Boc-4-(4-aminobutyl)piperazine

Base Information

• Chemical Name: 1-Boc-4-(4-aminobutyl)piperazine
• CAS No.: 745048-07-1
• Molecular Formula: C13H27 N3 O2
• Molecular Weight: 257.376
• Hs Code.: 2933599590
• European Community (EC) Number: 692-434-8
• DSSTox Substance ID: DTXSID80403530
• Wikidata: Q82207219
• Mol file: 745048-07-1.mol

Synonyms:1-Boc-4-(4-aminobutyl)piperazine;745048-07-1;Tert-butyl 4-(4-aminobutyl)piperazine-1-carboxylate;4-(4-Amino-butyl)-piperazine-1-carboxylic acid tert-butyl ester;MFCD04038543;1-Piperazinecarboxylic acid, 4-(4-aminobutyl)-, 1,1-dimethylethyl ester;1-Piperazinecarboxylicacid, 4-(4-aminobutyl)-, 1,1-dimethylethyl ester;SCHEMBL943825;DTXSID80403530;ZVLALOSAKAKWTC-UHFFFAOYSA-N;VEB04807;AKOS009423655;AS-5243;4-(4-Amino-butyl)--1-Boc-piperazine;4-(4-Boc-1-piperazinyl)-1-butanamine;AM804310;SY077201;A9540;CS-0038081;FT-0604294;EN300-2006757;A1-14406;tert-Butyl4-(4-aminobutyl)piperazine-1-carboxylate;4-(4-Amino-butyl)-piperazine-1-carboxylic acid tert-butyl ester+

Chemical Property of 1-Boc-4-(4-aminobutyl)piperazine

Chemical Property:

• Vapor Pressure: 3.51E-05mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 353.8°C at 760 mmHg
• Flash Point: 167.7°C
• PSA: 58.80000
• Density: 1.029g/cm³
• LogP: 1.85410
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 257.21032711
• Heavy Atom Count: 18
• Complexity: 256

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-(4-Aminobutyl)piperazine-1-carboxylic acid tert-butyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CCCCN

Technology Process of 1-Boc-4-(4-aminobutyl)piperazine

There total 3 articles about 1-Boc-4-(4-aminobutyl)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: 100.0%

4-[4-(1,3-dioxo-1,3-dihydroisoindol-2-yl)butyl]piperazine-1-carboxylic acid tert-butyl ester (745048-06-0) → 4-(4-aminobutyl)piperazine-1-carboxylic acid tert-butyl ester (745048-07-1)

Guidance literature:

With hydrazine hydrate; In ethanol; for 8h; Heating;

DOI:10.1021/jm040800a

Reference yield:

1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(4-aminobutyl)piperazine-1-carboxylic acid tert-butyl ester (745048-07-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / DIPEA / acetonitrile / 12 h / Heating

2: 100 percent / hydrazine monohydrate / ethanol / 8 h / Heating

With hydrazine hydrate; N-ethyl-N,N-diisopropylamine; In ethanol; acetonitrile;

DOI:10.1021/jm040800a

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → 4-(4-aminobutyl)piperazine-1-carboxylic acid tert-butyl ester (745048-07-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 75 percent / CH₂Cl₂ / 20 °C

2: 95 percent / DIPEA / acetonitrile / 12 h / Heating

3: 100 percent / hydrazine monohydrate / ethanol / 8 h / Heating

With hydrazine hydrate; N-ethyl-N,N-diisopropylamine; In ethanol; dichloromethane; acetonitrile;

DOI:10.1021/jm040800a

upstream raw materials:

4-[4-(1,3-dioxo-1,3-dihydroisoindol-2-yl)butyl]piperazine-1-carboxylic acid tert-butyl ester

di-tert-butyl dicarbonate

1-t-Butoxycarbonylpiperazine

Downstream raw materials:

1-cyclohexyl-N-(4-(4-(6-nitropyridin-2-yl)piperazin-1-yl)butyl)methane-sulfonamide

1-cyclohexyl-N-(4-(piperazin-1-yl)butyl)methanesulfonamide

tert-butyl 4-(4-(cyclohexylmethylsulfonamido)butyl)piperazine-1-carboxylate

Refernces

• 1、 -. "RADIOLABELED COMPOUNDS AND METHODS THEREOF". Page/Page column 170; 172. . Retrieved 2011/12/14.
• 2、 Tahtaoui, Chouaib,Parrot, Isabelle,Klotz, Philippe,Guillier, Fabrice,Galzi, Jean-Luc,Hibert, Marcel,Ilien, Brigitte. "Fluorescent pirenzepine derivatives as potential bitopic ligands of the human M1 muscarinic receptor". . p. 4300 - 4315. Retrieved 2007/10/03.