5-(4-Methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-one

Base Information

• Chemical Name: 5-(4-Methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-one
• CAS No.: 866849-23-2
• Molecular Formula: C₁₄H₁₈N₂O
• Molecular Weight: 230.31
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID50585296
• Wikidata: Q82477206
• Mol file: 866849-23-2.mol

Synonyms:866849-23-2;5-(4-METHYL-PIPERAZIN-1-YL)-INDAN-1-ONE;5-(4-Methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-one;5-(4-Methylpiperazino)indan-1-one;5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;5-(4-methyl-1-piperazinyl)-2,3-dihydroinden-1-one;DTXSID50585296;MFCD09701340;AKOS015915368;SB39182;5-(4-methylpiperazin-1-yl)indan-1-one;CS-0342477;A841791

Chemical Property of 5-(4-Methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-one

Chemical Property:

• PSA: 23.55000
• LogP: 1.57020
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 230.141913202
• Heavy Atom Count: 17
• Complexity: 297

Purity/Quality:

97% ^*data from raw suppliers

5-(4-Methyl-piperazin-1-yl)-indan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)C(=O)CC3

Technology Process of 5-(4-Methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-one

There total 2 articles about 5-(4-Methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-one 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: 60.0%

1-methyl-piperazine (109-01-3) + 5-fluoro-1-indanone (700-84-5) → 5-(4-methylpiperazin-1-yl)indan-1-one (866849-23-2)

Guidance literature:

at 100 ℃; for 20h;

DOI:10.1021/jm061223o

Reference yield:

→ 5-(4-methylpiperazin-1-yl)indan-1-one (866849-23-2)

Guidance literature:

Reference yield:

5-(4-methylpiperazin-1-yl)indan-1-one (866849-23-2) → C28H26N4SO

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / benzene / Heating

2: 49 mg / hydrazine monohydrate; HOAc / ethanol / Heating

With sodium hydride; hydrazine hydrate; acetic acid; In ethanol; benzene;

DOI:10.1021/jm061223o

upstream raw materials:

1-methyl-piperazine

5-fluoro-1-indanone

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