3-(4-Nitrophenyl)-1-(piperidin-1-yl)prop-2-en-1-one

Base Information

• Chemical Name: 3-(4-Nitrophenyl)-1-(piperidin-1-yl)prop-2-en-1-one
• CAS No.: 112601-99-7
• Molecular Formula: C14H16N2O3
• Molecular Weight: 260.293
• DSSTox Substance ID: DTXSID701207076
• Nikkaji Number: J460.980H,J467.773K
• ChEMBL ID: CHEMBL3892390

Synonyms:3-(4-nitrophenyl)-1-(piperidin-1-yl)prop-2-en-1-one;(2E)-3-(4-nitrophenyl)-1-(piperidin-1-yl)prop-2-en-1-one;1-(4-Nitrocinnamoyl)piperidine;CHEMBL3892390;BDBM185748;DTXSID701207076;STK099901;AKOS003534460;US9162991, 24a;1-[3-(4-Nitrophenyl)acryloyl]piperidine;(2E)-3-(4-Nitrophenyl)-1-(1-piperidinyl)-2-propen-1-one;112601-99-7

Chemical Property of 3-(4-Nitrophenyl)-1-(piperidin-1-yl)prop-2-en-1-one

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 260.11609238
• Heavy Atom Count: 19
• Complexity: 348

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCN(CC1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]
• Isomeric SMILES: C1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 3-(4-Nitrophenyl)-1-(piperidin-1-yl)prop-2-en-1-one

There total 11 articles about 3-(4-Nitrophenyl)-1-(piperidin-1-yl)prop-2-en-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: 98.0%

4-nitrobenzaldehdye (555-16-8) + (N-piperidinylcarbonylmethyl)triphenylarsonium bromide (112601-97-5) → (E)-3-(benzoyl 4-nitro)-1-(piperidin-1-yl)prop-2-en-1-one (112601-99-7)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 25 ℃; for 8h;

DOI:10.1016/S0040-4039(00)96069-6

Reference yield: 95.0%

piperidine (110-89-4) + (E)-4-nitrophenyl 3-(4-nitrophenyl)acrylate (27019-24-5) → (E)-3-(benzoyl 4-nitro)-1-(piperidin-1-yl)prop-2-en-1-one (112601-99-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/jo8004843

Reference yield: 80.0%

1-(2-bromoacetyl)piperidine (1796-25-4) + 4-nitrobenzaldehdye (555-16-8) → (E)-3-(benzoyl 4-nitro)-1-(piperidin-1-yl)prop-2-en-1-one (112601-99-7)

Guidance literature:

With tributylphosphine; zinc; at 80 ℃; for 10h;

DOI:10.1080/00397919208021635

upstream raw materials:

1-(2-bromoacetyl)piperidine

4-nitrobenzaldehdye

1,1-dimethoxy-1-(N-piperidinyl)ethane

(N-piperidinylcarbonylmethyl)triphenylarsonium bromide

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