4-Piperidinone, 1-[(4-nitrophenyl)methyl]-

Base Information

• Chemical Name: 4-Piperidinone, 1-[(4-nitrophenyl)methyl]-
• CAS No.: 141945-70-2
• Molecular Formula: C12H14N2O3
• Molecular Weight: 234.255
• DSSTox Substance ID: DTXSID20440782
• Wikidata: Q82257186
• Mol file: 141945-70-2.mol

Synonyms:4-Piperidinone, 1-[(4-nitrophenyl)methyl]-;141945-70-2;SCHEMBL5675358;DTXSID20440782;AKOS000185811

Chemical Property of 4-Piperidinone, 1-[(4-nitrophenyl)methyl]-

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 234.10044231
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 4-Piperidinone, 1-[(4-nitrophenyl)methyl]-

There total 2 articles about 4-Piperidinone, 1-[(4-nitrophenyl)methyl]- 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: 66.0%

piperidin-4-one (41661-47-6) + 1-bromomethyl-4-nitro-benzene (100-11-8) → 1-(4-nitrobenzyl)-4-piperidone (141945-70-2)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; for 17h; Ambient temperature;

DOI:10.1021/jo960629d

Reference yield:

4-piperidone hydrochloride (41979-39-9) + 4-nitrobenzyl chloride (100-14-1) → 1-(4-nitrobenzyl)-4-piperidone (141945-70-2)

Guidance literature:

With TEA; In dichloromethane; Heating;

DOI:10.1021/jm0210212

Reference yield: 68.0%

3-(naphthalen-2-yl)-3-oxopropanenitrile (613-57-0) + 1-(4-nitrobenzyl)-4-piperidone (141945-70-2) → [2-amino-6-(4-nitro-benzyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-yl-methanone

Guidance literature:

With morpholine; sulfur; In ethanol; at 70 ℃; for 1h;

DOI:10.1021/jm0210212

upstream raw materials:

piperidin-4-one

1-bromomethyl-4-nitro-benzene

4-piperidone hydrochloride

4-nitrobenzyl chloride

Downstream raw materials:

4-piperidinqmine, 1-<(4-nitrophenyl)methyl>-

[1-(4-nitro-benzyl)-piperidin-4-ylidene]-acetic acid ethyl ester

[1-(4-Nitro-benzyl)-piperidin-4-yl]-acetic acid ethyl ester

3-methyl-1-[1-(4-nitro-benzyl)-piperidin-4-yl]-butan-2-one

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