2-(1-Piperazinyl)pyrimidine

Base Information

• Chemical Name: 2-(1-Piperazinyl)pyrimidine
• CAS No.: 20980-22-7
• Molecular Formula: C8H12N4
• Molecular Weight: 164.21
• Hs Code.: 29335990
• European Community (EC) Number: 244-135-5
• UNII: H3B5B38F56
• DSSTox Substance ID: DTXSID00864967
• Nikkaji Number: J22.906G
• Wikipedia: Pyrimidinylpiperazine
• Wikidata: Q7263602
• Metabolomics Workbench ID: 71585
• ChEMBL ID: CHEMBL724
• Mol file: 20980-22-7.mol

Synonyms:1-(2-pyrimidinyl)piperazine;1-pyrimidinylpiperazine;MJ 13653;MJ-13653

Chemical Property of 2-(1-Piperazinyl)pyrimidine

Chemical Property:

• Appearance/Colour: clear yellow liquid after melting
• Vapor Pressure: 0.000195mmHg at 25°C
• Melting Point: 32-34 °C
• Refractive Index: n20/D 1.587(lit.)
• Boiling Point: 328 °C at 760 mmHg
• PKA: 8.68±0.10(Predicted)
• Flash Point: 152.1 °C
• PSA: 41.05000
• Density: 1.138 g/cm³
• LogP: 0.28000
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Sensitive.: Hygroscopic
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: almost transparency
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 164.106196400
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

2-(1-Piperazinyl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=NC=CC=N2
• Uses: The major metabolite of Tandospirone. 2-(1-Piperazinyl)pyrimidine 2-(1-Piperazinyl)pyrimidine (Buspirone EP Impurity A) is the major metabolite of Tandospirone (T006430).

Technology Process of 2-(1-Piperazinyl)pyrimidine

There total 10 articles about 2-(1-Piperazinyl)pyrimidine 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: 96.0%

→ N-(2-pyridinyl)piperazine (20980-22-7)

Guidance literature:

Reference yield: 88.0%

piperazine (110-85-0) + 2-chloropyrimidine (1722-12-9,1195939-87-7) → N-(2-pyridinyl)piperazine (20980-22-7)

Guidance literature:

With potassium carbonate; In water;

DOI:10.1002/cjoc.201500436

Reference yield: 82.0%

ethyl 4-(2-pirymidinyl)-1-piperazinecarboxylate (99931-83-6) → N-(2-pyridinyl)piperazine (20980-22-7)

Guidance literature:

With potassium hydroxide; In ethanol; for 4h; Heating;

upstream raw materials:

piperazine

2-chloropyrimidine

ethyl 4-(2-pirymidinyl)-1-piperazinecarboxylate

1-(2-pyrimidinyl)piperazine hydrochloride

Downstream raw materials:

tandospirone

8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane Bromide

1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-but-2-ynyl]-1,2-dihydro-1λ⁶-benzo[d]isothiazol-3-one

1-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-but-2-ynyl]-pyrrolidine-2,5-dione

Refernces

• 1、 -. "ANTIVIRAL COMPOUNDS". Paragraph 90-92; 97-98; 143-145. . Retrieved 2020/11/12.
• 2、 -. "Preparation method of piribedil". Paragraph 0021; 0024; 0027. . Retrieved 2017/10/13.