4-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile

Base Information

• Chemical Name: 4-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile
• CAS No.: 97730-95-5
• Molecular Formula: C₂₉H₃₀N₄O₂
• Molecular Weight: 466.583
• UNII: UI0EP1D878
• DSSTox Substance ID: DTXSID10913677
• Wikidata: Q27189556
• Pharos Ligand ID: JNA1TAG8HM4P
• ChEMBL ID: CHEMBL314639
• Mol file: 97730-95-5.mol

Synonyms:1H-Indole-2-carbonitrile, 4-(3-(4-(diphenylmethyl)-1-piperazinyl)-2-hydroxypropoxy)-, (+-)-;4-(3-(4-diphenylmethyl-1-piperazinyl)-2-hydroxypropoxy)-1H-indole-2-carbonitrile;DPI 201-106;DPI 201106;DPI--201106;DPI-201-106;DPI201106

Chemical Property of 4-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile

Chemical Property:

• Vapor Pressure: 1.02E-20mmHg at 25°C
• Boiling Point: 702.6°Cat760mmHg
• Flash Point: 378.7°C
• PSA: 75.52000
• Density: 1.29g/cm³
• LogP: 4.06228
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 466.23687621
• Heavy Atom Count: 35
• Complexity: 672

Purity/Quality:

95% ^*data from raw suppliers

(+/-)-SDZ-201106(DPI-201106) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC(COC2=CC=CC3=C2C=C(N3)C#N)O)C(C4=CC=CC=C4)C5=CC=CC=C5
• Uses: SDZ-201106 (+/-), (DPI-201106) is a positive inotropic and calcium sensitizing agent.

Technology Process of 4-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile

There total 2 articles about 4-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile 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:

diphenylmethylpiperazine (841-77-0) + 4-(2,3-epoxypropoxy)-1H-indol-2-carbonitrile (73907-82-1) → DPI 201-106 (97730-95-5,97749-21-8)

Guidance literature:

With malonic acid; In methanol; ethanol;

Reference yield:

diphenylmethylpiperazine (841-77-0) + oxiranyl-methanol (556-52-5) + 4-hydroxy-1H-indole-2-carbonitrile (106469-57-2) → DPI 201-106 (97730-95-5,97749-21-8)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; Yield given. Multistep reaction; 1.) THF, RT, 6 h, 2.) acetone, 80 deg C, 15 min;

DOI:10.1080/00397919508011384

upstream raw materials:

diphenylmethylpiperazine

oxiranyl-methanol

4-hydroxy-1H-indole-2-carbonitrile

4-(2,3-epoxypropoxy)-1H-indol-2-carbonitrile

Refernces

• 1、 -. "3-Aminopropoxyaryl derivatives, their preparation and pharmaceutical compositions containing them". . . Retrieved 2008/06/13.