1-(3-Dimethylaminopropyl)piperazine

Base Information

• Chemical Name: 1-(3-Dimethylaminopropyl)piperazine
• CAS No.: 877-96-3
• Molecular Formula: C9H21N3
• Molecular Weight: 171.286
• Hs Code.: 29339900
• European Community (EC) Number: 627-165-7
• DSSTox Substance ID: DTXSID60371223
• Wikidata: Q82158492
• Mol file: 877-96-3.mol

Synonyms:877-96-3;1-(3-dimethylaminopropyl)piperazine;N,N-Dimethyl-3-(piperazin-1-yl)propan-1-amine;N,N-dimethyl-3-piperazin-1-ylpropan-1-amine;1-[3-(Dimethylamino)propyl]piperazine;dimethyl[3-(piperazin-1-yl)propyl]amine;1-[3-(dimethylamino)-propyl]-piperazine;1-(3-Dimethylaminopropyl)-piperazine;MFCD00082601;N,N-dimethyl-N-[3-(1-piperazinyl)propyl]amine;SCHEMBL165923;3-Dimethylaminopropylpiperazine;DTXSID60371223;YJRGRZJKGMBHIB-UHFFFAOYSA-N;BBL028166;N,N-Dimethyl-1-piperazinepropanamine;N,N-Dimethyl-3-piperazinopropylamine;STK802290;(3-dimethylaminoprop-1-yl)piperazine;1-(N,N-dimethylaminopropyl)piperazine;AKOS002671650;dimethyl(3-piperazin-1-yl-propyl)-amine;TS-00156;CS-0300321;FT-0633063;EN300-869204;A842372;1-[3-(Dimethylamino)propyl]piperazine, >=98.0% (GC)

Chemical Property of 1-(3-Dimethylaminopropyl)piperazine

Chemical Property:

• Appearance/Colour: Clear light yellow liquid
• Vapor Pressure: 0.0447mmHg at 25°C
• Refractive Index: n20/D 1.478
• Boiling Point: 237.5 °C at 760 mmHg
• PKA: 9.67±0.28(Predicted)
• Flash Point: 94 °C
• PSA: 18.51000
• Density: 0.911 g/cm³
• LogP: 0.11000
• Sensitive.: Air Sensitive
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 171.173547683
• Heavy Atom Count: 12
• Complexity: 108

Purity/Quality:

99.3% ^*data from raw suppliers

N,N-dimethyl-3-(piperazin-1-yl)propan-1-amine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCN1CCNCC1

Technology Process of 1-(3-Dimethylaminopropyl)piperazine

There total 5 articles about 1-(3-Dimethylaminopropyl)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:

C9H19N3O*2ClH → dimethyl-(3-piperazin-1-yl-propyl)-amine (877-96-3)

Guidance literature:

C₉H₁₉N₃O*2ClH; With lithium aluminium tetrahydride; In tetrahydrofuran; for 5h; Reflux;

With water; sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1016/j.bmc.2012.01.036

Reference yield:

piperazine (110-85-0) + 3-(dimethylamino)propyl chloride hydrochloride (5407-04-5) → dimethyl-(3-piperazin-1-yl-propyl)-amine (877-96-3)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; dichloromethane;

Reference yield:

4-(2-methoxycarbonylethyl)-piperazine-1-carboxylic acid tert-butyl ester (656803-51-9) → dimethyl-(3-piperazin-1-yl-propyl)-amine (877-96-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: magnesium chloride / tetrahydrofuran / 0.08 h / 20 °C

1.2: 18 h / 20 °C

2.1: hydrogenchloride / 1,4-dioxane; methanol; dichloromethane / 4 h / 20 °C

3.1: lithium aluminium tetrahydride / tetrahydrofuran / 5 h / Reflux

3.2: 0.5 h / 20 °C

With hydrogenchloride; lithium aluminium tetrahydride; magnesium chloride; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane;

DOI:10.1016/j.bmc.2012.01.036

upstream raw materials:

piperazine

3-(dimethylamino)propyl chloride hydrochloride

4-(2-methoxycarbonylethyl)-piperazine-1-carboxylic acid tert-butyl ester

C₁₄H₂₇N₃O₃

Downstream raw materials:

N-[bis(4-methylphenyl)methyl]-4-(3-dimethylaminopropyl)piperazine-1-carboxamide

4-(3-Dimethylamino-propyl)-piperazine-1-carboxylic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl ester

1-(3-dimethylaminopropyl)-4-[1-(phenylmethyl)-4-piperidinyl]-piperazine

3-{1-[4-[3-chloro-4-[4-(3-dimethylaminopropyl)-1-piperazinyl]phenyl]-1,4-dioxobutyl]-4-piperidinyl}-3,4-dihydro-2(1H)-quinazolinone

Refernces

• 1、 -. "Dihydropyridine derivatives as bradykinin antagonist". . . Retrieved 2008/06/13.