1-Phenyl-4-(1h-pyrrol-2-ylmethyl)piperazine

Base Information

• Chemical Name: 1-Phenyl-4-(1h-pyrrol-2-ylmethyl)piperazine
• CAS No.: 245663-89-2
• Molecular Formula: C15H19N3
• Molecular Weight: 241.336
• ChEMBL ID: CHEMBL294394
• DSSTox Substance ID: DTXSID70514604
• Nikkaji Number: J1.721.777A
• Pharos Ligand ID: 1BFNMB5KFKG4
• Wikidata: Q82375033
• Mol file: 245663-89-2.mol

Synonyms:245663-89-2;CHEMBL294394;1-phenyl-4-(1h-pyrrol-2-ylmethyl)piperazine;DTXSID70514604;BDBM50115719;1-Phenyl-4-(1H-pyrrol-2-ylmethyl)-piperazine;1-Phenyl-4-[(1H-pyrrol-2-yl)methyl]piperazine

Chemical Property of 1-Phenyl-4-(1h-pyrrol-2-ylmethyl)piperazine

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 241.157897619
• Heavy Atom Count: 18
• Complexity: 242

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CC=CN2)C3=CC=CC=C3

Technology Process of 1-Phenyl-4-(1h-pyrrol-2-ylmethyl)piperazine

There total 3 articles about 1-Phenyl-4-(1h-pyrrol-2-ylmethyl)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: 87.0%

pyrrole (109-97-7,30604-81-0) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-phenylpiperazine hydrochloride (4004-95-9,70849-66-0,2210-93-7) → 1-phenyl-4-(1H-pyrrole-2-yl-methyl)piperazine (245663-89-2)

Guidance literature:

In methanol; toluene; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.jorganchem.2015.05.006

Reference yield: 81.0%

pyrrole (109-97-7,30604-81-0) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-phenyl-1-piperazine (92-54-6) → 1-phenyl-4-(1H-pyrrole-2-yl-methyl)piperazine (245663-89-2)

Guidance literature:

With acetic acid; at 0 ℃; for 0.5h;

DOI:10.1016/S0960-894X(99)00302-9

Reference yield:

4-phenyl-1-piperazine (92-54-6) + 1-diethoxymethyl-1H-pyrrole-2-carbaldehyde (405218-98-6) → 1-phenyl-4-(1H-pyrrole-2-yl-methyl)piperazine (245663-89-2)

Guidance literature:

1-diethoxymethyl-1H-pyrrole-2-carbaldehyde; With Lenzoff resin; toluene-4-sulfonic acid; In 1,4-dioxane; at 20 ℃; for 4h;

4-phenyl-1-piperazine; With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; at 20 ℃; for 22h;

With trifluoroacetic acid; In 1,4-dioxane; acetonitrile; at 60 ℃; for 48h;

DOI:10.1055/s-2002-19813

upstream raw materials:

pyrrole

formaldehyd

4-phenyl-1-piperazine

1-diethoxymethyl-1H-pyrrole-2-carbaldehyde

Downstream raw materials:

5-(4-phenyl-piperazin-1-ylmethyl)-1H-pyrrole-2-carbaldehyde