1-(2-Diethylaminoethyl)piperazine

Base Information

• Chemical Name: 1-(2-Diethylaminoethyl)piperazine
• CAS No.: 4038-92-0
• Molecular Formula: C10H23N3
• Molecular Weight: 185.313
• Hs Code.: 2933599590
• European Community (EC) Number: 671-437-8
• DSSTox Substance ID: DTXSID50371131
• Wikidata: Q82158385
• Mol file: 4038-92-0.mol

Synonyms:1-(2-diethylaminoethyl)piperazine;4038-92-0;N,N-diethyl-2-piperazin-1-ylethanamine;1-(2-Diethylaminoethyl)-piperazine;diethyl[2-(piperazin-1-yl)ethyl]amine;N,N-diethyl-2-(piperazin-1-yl)ethanamine;MFCD00167968;1-[2-(diethylamino)-ethyl]-piperazine;N,N-diethyl-2-(1-piperazinyl)ethanamine;N,N-Diethyl-2-(piperazin-1-yl)ethan-1-amine;1-[2-(diethylamino)ethyl]piperazine;Diethyl-(2-piperazin-1-yl-ethyl)-amine;N,N-diethyl-2-piperazin-1-yl-ethanamine;SCHEMBL151633;DTXSID50371131;PVYBFVZRZWESQN-UHFFFAOYSA-N;BBL019996;STL259701;AKOS000104178;AS-44263;N-[2-(piperazin-1-yl)ethyl]diethylamine;BB 0217039;CS-0312602;FT-0635108;A825081;N,N-Diethyl-2-(1-piperazinyl)ethanamine, AldrichCPR

Chemical Property of 1-(2-Diethylaminoethyl)piperazine

Chemical Property:

• Vapor Pressure: 0.0289mmHg at 25°C
• Refractive Index: 1.469
• Boiling Point: 245.3 °C at 760 mmHg
• Flash Point: 93.4 °C
• PSA: 18.51000
• Density: 0.906 g/cm³
• LogP: 0.50010
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 185.189197746
• Heavy Atom Count: 13
• Complexity: 117

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Diethylaminoethyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCN1CCNCC1

Technology Process of 1-(2-Diethylaminoethyl)piperazine

There total 7 articles about 1-(2-Diethylaminoethyl)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: 73.0%

piperazine (110-85-0) → 4-[2-(diethylamino)ethyl]piperazine (4038-92-0)

Guidance literature:

With conc. HX; In ethanol; Heating;

DOI:10.1016/0223-5234(96)85875-2

Reference yield:

tert-butyl 4-(2-chloroethyl)tetrahydro-1(2H)-pyrazinecarboxylate (208167-83-3) → 4-[2-(diethylamino)ethyl]piperazine (4038-92-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium iodide / methanol / 5 h / 40 °C

2: trifluoroacetic acid

With trifluoroacetic acid; sodium iodide; In methanol;

DOI:10.1016/j.ejmech.2014.07.047

Reference yield:

tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate (77279-24-4) → 4-[2-(diethylamino)ethyl]piperazine (4038-92-0)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine; methanesulfonyl chloride; dmap

2: sodium iodide / methanol / 5 h / 40 °C

3: trifluoroacetic acid

With dmap; methanesulfonyl chloride; triethylamine; trifluoroacetic acid; sodium iodide; In methanol;

DOI:10.1016/j.ejmech.2014.07.047

upstream raw materials:

1-(2-diethylamino-ethyl)-4-(toluene-4-sulfonyl)-piperazine

piperazine

tert-butyl 4-(2-chloroethyl)tetrahydro-1(2H)-pyrazinecarboxylate

tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

Downstream raw materials:

Acetic acid 4-[4-(2-diethylamino-ethyl)-piperazine-1-carbonyl]-phenyl ester

[4-(2-Diethylamino-ethyl)-piperazin-1-yl]-(4-hydroxy-phenyl)-methanone

[4-(2-diethylamino-ethyl)-piperazin-1-yl]-[4-methyl-1-(4-methylbenzyl)-3-p-tolyl-1H-pyrrol-2-yl]-methanone

5-{4-[2-(diethylamino)ethyl]piperazin-1-yl}-2-nitroaniline