1-(6-Methylpyridin-2-yl)piperazine

Base Information

• Chemical Name: 1-(6-Methylpyridin-2-yl)piperazine
• CAS No.: 55745-89-6
• Molecular Formula: C10H15N3
• Molecular Weight: 177.249
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60371723
• Wikidata: Q82159162
• ChEMBL ID: CHEMBL1188944
• Mol file: 55745-89-6.mol

Synonyms:1-(6-methylpyridin-2-yl)piperazine;55745-89-6;1-(6-methylpyrid-2-yl)piperazine;Piperazine, 1-(6-methyl-2-pyridinyl)-;1-(2-(6-methylpyridyl))-piperazine;1-(6-Methyl-pyridin-2-yl)-piperazine;SCHEMBL75430;CHEMBL1188944;DTXSID60371723;VOSMEFSBAHULFT-UHFFFAOYSA-N;1-(6-methyl-2-pyridyl)piperazine;1-[2-(6-methylpyridyl)]piperazine;1-(6-methyl-2-pyridinyl)piperazine;1-(6-Methylpyrid-2-yl)]piperazine;GS0793;MFCD01320891;1-(6-Methylpyridin-2-yl)]piperazine;AKOS000269696;AB91079;FS-1568;BP-10421;CS-0206035;FT-0690712;1-(6-methylpyrid-2-yl)piperazine, AldrichCPR;EN300-110874;A830784

Chemical Property of 1-(6-Methylpyridin-2-yl)piperazine

Chemical Property:

• Vapor Pressure: 0.000122mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 335.1 °C at 760 mmHg
• PKA: 9.14±0.19(Predicted)
• Flash Point: 156.5 °C
• PSA: 28.16000
• Density: 1.059g/cm³
• LogP: 1.19340
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.126597491
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

99%, ^*data from raw suppliers

1-(6-Methylpyridin-2-yl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CC=C1)N2CCNCC2
• Uses: 1-(6-Methylpyridin-2-yl)piperazine is a compound used in the preparation of anticonvulsant agents.

Technology Process of 1-(6-Methylpyridin-2-yl)piperazine

There total 4 articles about 1-(6-Methylpyridin-2-yl)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: 48.55%

piperazine (110-85-0) + 2-bromo-6-methylpyridine (5315-25-3) → 1-(6-methylpyridin-2-yl)piperazine (55745-89-6)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; In toluene; at 100 ℃; for 17h; Inert atmosphere;

Reference yield: 20.0%

piperazine (110-85-0) + 6-chloro-2-picoline (18368-63-3) → 1-(6-methylpyridin-2-yl)piperazine (55745-89-6) + 1,4-bis(6-methylpyridin-2-yl)piperazine

Guidance literature:

In butan-1-ol; at 130 ℃; for 120h;

DOI:10.1021/acs.jmedchem.8b00286

Reference yield:

piperazine (110-85-0) + 6-chloro-2-picoline (18368-63-3) → 1-(6-methylpyridin-2-yl)piperazine (55745-89-6)

Guidance literature:

In butan-1-ol; for 48h; Heating;

DOI:10.1021/jm00126a015

upstream raw materials:

piperazine

2-bromo-6-methylpyridine

6-chloro-2-picoline

Downstream raw materials:

1-[2-(N-ethyl-anilino)-ethyl]-4-(6-methyl-[2]pyridyl)-piperazine

9-{4-[4-(6-methyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-9H-fluorene-9-carboxylic acid-4-fluorobenzyl-amide

1-methyl-6-(4-(2-(4-(6-methylpyridin-2-yl)piperazin-1-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile

N-{4-[4-(6-methylpyridin-2-yl)piperazine-1-sulfonyl]phenyl}acrylamide