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

Base Information

• Chemical Name: 3-((4-(4-Chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo[2,3-b]pyridine
• CAS No.: 158985-00-3
• Molecular Formula: C₁₈H₁₉ClN₄
• Molecular Weight: 326.829
• UNII: J3OLN3XSX7
• DSSTox Substance ID: DTXSID40415513
• Nikkaji Number: J745.555K
• Wikipedia: L-745,870
• Wikidata: Q6456082
• Pharos Ligand ID: WXYNAQHW4KX5
• ChEMBL ID: CHEMBL267014
• Mol file: 158985-00-3.mol

Synonyms:3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine;CPMPP-3;L 745,870;L 745870;L-745,870;L-745870;L745,870;L745870

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

Chemical Property:

• Vapor Pressure: 3.05E-14mmHg at 25°C
• Boiling Point: 590.8°Cat760mmHg
• Flash Point: 311.1°C
• PSA: 35.16000
• Density: g/cm³
• LogP: 3.54140
• Storage Temp.: Desiccate at +4°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 326.1298243
• Heavy Atom Count: 23
• Complexity: 377

Purity/Quality:

99% ^*data from raw suppliers

L-745,870trihydrochloride ≥99%(HPLC) ^*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)Cl
• Uses: L-745,870 is a drug which acts as a dopamine receptor antagonist selective for the D4 subtype, and has antipsychotic effects in animal models, though it was not effective in human trials.

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

There total 2 articles about 3-((4-(4-Chlorophenyl)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: 41.0%

4-(4-chlorophenyl) piperazine (38212-33-8) + 7-azagramine (5654-92-2) → L-745870 (158985-00-3)

Guidance literature:

In toluene; at 110 ℃; for 14h; Inert atmosphere;

DOI:10.1002/anie.201901724

Reference yield:

→ L-745870 (158985-00-3)

Guidance literature:

upstream raw materials:

4-(4-chlorophenyl) piperazine

7-azagramine

Refernces

• 1、 Dalziel, Michael E.,Patel, Jignesh J.,Kaye, Meagan K.,Cosman, Jennifer L.,Kitching, Matthew O.,Snieckus, Victor. "Regioselective Functionalization of 7-Azaindole by Controlled Annular Isomerism: The Directed Metalation-Group Dance". . p. 7313 - 7317. Retrieved 2019.