2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)-

Base Information

• Chemical Name: 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)-
• CAS No.: 102692-40-0
• Molecular Formula: C₁₆H₁₃NO₃
• Molecular Weight: 267.284
• DSSTox Substance ID: DTXSID80393487
• Mol file: 102692-40-0.mol

Synonyms:1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)-;4'-METHYL-4-NITROCHALCONE;DTXSID80393487;AKOS030240552

Chemical Property of 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)-

Chemical Property:

• Melting Point: 149 - 151 °C (methanol)
• PSA: 62.89000
• LogP: 4.32250
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 267.08954328
• Heavy Atom Count: 20
• Complexity: 370

Purity/Quality:

(E)-1-(4-METHYLPHENYL)-3-(4-NITROPHENYL)-2-PROPEN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)-

There total 6 articles about 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)- 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) + para-methylacetophenone (122-00-9) → 3-(4-nitrophenyl)-1-p-tolylprop-2-en-1-one (102692-40-0,102692-55-7,13736-56-6)

Guidance literature:

With tert-butylammonium hexafluorophosphate(V); calcium(II) trifluoromethanesulfonate; In neat (no solvent); at 120 ℃; for 0.5h; Reagent/catalyst; Solvent; Time; Catalytic behavior;

DOI:10.1016/j.tetlet.2020.152175

Reference yield: 85.0%

4-nitrobenzaldehdye (555-16-8) + para-methylacetophenone (122-00-9) → (2E)-1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one (13736-56-6,102692-55-7,102692-40-0)

Guidance literature:

With iron(III) chloride; 1-butyl-3-methylimidazolium Tetrafluoroborate; at 100 ℃; for 6h;

Reference yield:

p-Tolylaceton (2096-86-8) + 4-nitrobenzaldehdye (555-16-8) → 3-(4-nitrophenyl)-1-p-tolylprop-2-en-1-one (102692-40-0,102692-55-7,13736-56-6)

Guidance literature:

With sodium hydroxide; In ethanol; for 3h;

upstream raw materials:

4-nitrobenzaldehdye

para-methylacetophenone

p-Tolylaceton

1-p-tolyl-2-(triphenyl-λ⁵-arsanylidene)-ethanone

Downstream raw materials:

(3-(4-nitrophenyl)oxiran-2-yl)(p-tolyl)methanone

1,2-Dibromo-3-(4'-methylphenyl)-o-nitropropiophenon

3-(4-methylphenyl)-5-(4-nitrophenyl)-2-pyrazoline

C₁₆H₁₅NO₂