3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

Base Information

• Chemical Name: 3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
• CAS No.: 158985-08-1
• Molecular Formula: C₁₈H₁₉IN₄
• Molecular Weight: 418.28
• Nikkaji Number: J745.556I
• Wikidata: Q27078422
• Pharos Ligand ID: WF9JRUZM68DA
• ChEMBL ID: CHEMBL60518
• Mol file: 158985-08-1.mol

Synonyms:3-(4-(4-iodophenyl)piperazine-1-yl)methylpyrrolo(2,3-b)pyridine;L 750,667;L 750667;L-750,667;L-750667

Chemical Property of 3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

Chemical Property:

• PSA: 35.16000
• Density: 1.62
• LogP: 3.49260
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 418.06544
• Heavy Atom Count: 23
• Complexity: 377

Purity/Quality:

99% ^*data from raw suppliers

L-750,667 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)I

Technology Process of 3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

There total 2 articles about 3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine 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: 56.0%

7-azagramine (5654-92-2) + 1-(piperazin-1-yl)-4-iodobenzene (96530-59-5) → 3-[4-(4-iodophenyl)-piperazin-1-yl]methyl-1H-pyrrolo[2,3-b]pyridine (158985-08-1)

Guidance literature:

In xylene; Heating;

DOI:10.1002/jlcr.597

Reference yield:

→ 3-[4-(4-iodophenyl)-piperazin-1-yl]methyl-1H-pyrrolo[2,3-b]pyridine (158985-08-1)

Guidance literature:

upstream raw materials:

7-azagramine

1-(piperazin-1-yl)-4-iodobenzene

Refernces

• 1、 Kulagowski, Janusz J.,Broughton, Howard B.,Curtis, Neil R.,Mawer, Ian M.,Ridgill, Mark P.,Baker, Raymond,Emms, Frances,Freedman, Stephen B.,Marwood, Rosemarie,Patel, Shil,Patel, Smita,Ragan, C. Ian,Leeson, Paul D.. "3-[[4-(4-Chlorophenyl)piperazin-1-yl]-methyl]-1H-pyrrolo[2,3-b]pyridine: An antagonist with high affinity and selectivity for the human dopamine D4 receptor". . p. 1941 - 1942. Retrieved 2007/10/03.