(1H-indol-3-yl)(piperazin-1-yl)methanone

Base Information

• Chemical Name: (1H-indol-3-yl)(piperazin-1-yl)methanone
• CAS No.: 610802-16-9
• Molecular Formula: C₁₃H₁₅N₃O
• Molecular Weight: 229.282
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10586002
• Wikidata: Q82478027
• Mol file: 610802-16-9.mol

Synonyms:610802-16-9;(1H-indol-3-yl)(piperazin-1-yl)methanone;3-(piperazin-1-ylcarbonyl)-1H-indole;1H-indol-3-yl(piperazin-1-yl)methanone;3-(piperazine-1-carbonyl)-1H-indole;MFCD08743539;SCHEMBL1144650;DTXSID10586002;AB2880;AKOS000180532;LS-05748;1H-INDOL-3-YL(PIPERAZINO)METHANONE;CS-0270255;EN300-58085;A833035

Chemical Property of (1H-indol-3-yl)(piperazin-1-yl)methanone

Chemical Property:

• Boiling Point: 470.5±35.0 °C(Predicted)
• PKA: 16.41±0.30(Predicted)
• PSA: 48.13000
• Density: 1.252±0.06 g/cm3(Predicted)
• LogP: 1.48000
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 229.121512110
• Heavy Atom Count: 17
• Complexity: 288

Purity/Quality:

97% ^*data from raw suppliers

3-(Piperazin-1-ylcarbonyl)-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C(=O)C2=CNC3=CC=CC=C32

Technology Process of (1H-indol-3-yl)(piperazin-1-yl)methanone

There total 4 articles about (1H-indol-3-yl)(piperazin-1-yl)methanone 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: 100.0%

piperazine (110-85-0) + 1H-indole-3-carboxylic acid (771-50-6) → 3-(piperazine-1-carbonyl)-1H-indole (610802-16-9)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃; for 0.166667h;

Reference yield:

benzyl 4-(1H-indole-3-carbonyl)piperazine-1-carboxylate → 3-(piperazine-1-carbonyl)-1H-indole (610802-16-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; ethanol; at 20 ℃; for 3h;

DOI:10.1007/s00044-014-1300-x

Reference yield:

tert-butyl 4-(1H-indole-3-carbonyl)piperazine-1-carboxylate → 3-(piperazine-1-carbonyl)-1H-indole (610802-16-9)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water; at 20 ℃; for 3h;

upstream raw materials:

1H-indole-3-carboxylic acid

piperazine