1-(4-Nitrophenyl)-2-(piperidin-1-ylmethyl)prop-2-en-1-one;hydrochloride

Base Information

• Chemical Name: 1-(4-Nitrophenyl)-2-(piperidin-1-ylmethyl)prop-2-en-1-one;hydrochloride
• CAS No.: 78888-45-6
• Molecular Formula: C₁₅H₁₈N₂O₃*ClH
• Molecular Weight: 310.78
• DSSTox Substance ID: DTXSID40511685
• NSC Number: 304553
• Mol file: 78888-45-6.mol

Synonyms:78888-45-6;DTXSID40511685;NSC304553;NSC-304553;1-(4-Nitrophenyl)-2-[(piperidin-1-yl)methyl]prop-2-en-1-one--hydrogen chloride (1/1)

Chemical Property of 1-(4-Nitrophenyl)-2-(piperidin-1-ylmethyl)prop-2-en-1-one;hydrochloride

Chemical Property:

• Vapor Pressure: 9.2E-08mmHg at 25°C
• Boiling Point: 434.8°Cat760mmHg
• Flash Point: 216.8°C
• Density: 1.17g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 310.1084202
• Heavy Atom Count: 21
• Complexity: 375

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(CN1CCCCC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

Technology Process of 1-(4-Nitrophenyl)-2-(piperidin-1-ylmethyl)prop-2-en-1-one;hydrochloride

There total 3 articles about 1-(4-Nitrophenyl)-2-(piperidin-1-ylmethyl)prop-2-en-1-one;hydrochloride 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: 72.0%

1,3,5-Trioxan (110-88-3) + piperidine hydrochloride (6091-44-7) + (4-nitrophenyl)ethanone (100-19-6) → α-Piperidinomethyl-p-nitroacrylophenone hydrochloride (78888-45-6)

Guidance literature:

In acetic acid; for 4h; Heating;

Reference yield: 55.0%

1,3,5-Trioxan (110-88-3) + 1-(p-nitrophenyl)-3-(piperidin-1-yl)propan-1-one hydrochloride (893-53-8) → α-Piperidinomethyl-p-nitroacrylophenone hydrochloride (78888-45-6)

Guidance literature:

In acetic acid; for 3h; Heating;

Reference yield:

1,3,5-Trioxan (110-88-3) + piperidine hydrochloride (6091-44-7) + (4-nitrophenyl)ethanone (100-19-6) → 1-(p-nitrophenyl)-3-(piperidin-1-yl)propan-1-one hydrochloride (893-53-8) + α-Piperidinomethyl-p-nitroacrylophenone hydrochloride (78888-45-6)

Guidance literature:

In ethanol; Heating;

upstream raw materials:

1,3,5-Trioxan

1-(p-nitrophenyl)-3-(piperidin-1-yl)propan-1-one hydrochloride

piperidine hydrochloride

(4-nitrophenyl)ethanone