3-Nitrobenzalacetophenone

Base Information

• Chemical Name: 3-Nitrobenzalacetophenone
• CAS No.: 614-48-2
• Molecular Formula: C15H11 N O3
• Molecular Weight: 253.257
• Hs Code.: 29147000
• DSSTox Substance ID: DTXSID50870694
• ChEMBL ID: CHEMBL1899914
• Mol file: 614-48-2.mol

Synonyms:3-nitrobenzalacetophenone;CBDivE_001972;CHEMBL1899914;DTXSID50870694;2-(3-Nitrobenzylidene)acetophenone;AKOS016037986;NCGC00161439-02;3-(3-nitrophenyl)-1-phenyl-2-propen1-one;FT-0616247;N0936;3-(3-nitrophenyl)-1-phenyl-2-propen-1-one;1-phenyl-3-(3'-nitrophenyl)-prop-2-en-1-one

Chemical Property of 3-Nitrobenzalacetophenone

Chemical Property:

• Vapor Pressure: 3.22E-07mmHg at 25°C
• Melting Point: 142-146 °C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 418.7°C at 760 mmHg
• Flash Point: 199.9°C
• PSA: 62.89000
• Density: 1.255g/cm³
• LogP: 4.01410
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 253.07389321
• Heavy Atom Count: 19
• Complexity: 353

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Nitrochalcone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-Nitrobenzalacetophenone

There total 31 articles about 3-Nitrobenzalacetophenone 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: 97.0%

C22H18N2O3 → (E)-3-nitrochalcone (614-48-2,24721-24-2)

Guidance literature:

With iodine; triphenylphosphine; In dichloromethane; for 1.5h; stereoselective reaction; Reflux;

DOI:10.3184/174751913X13646666428217

Reference yield: 96.0%

3-nitro-benzaldehyde (99-61-6) + acetophenone (98-86-2) → 3-nitrochalcone (614-48-2,24721-24-2)

Guidance literature:

With potassium natural asphalt sulfonate nanoparticles; In ethanol; at 20 ℃; for 2.5h;

DOI:10.1002/aoc.5840

Reference yield: 96.0%

(E)-3-(3-Nitro-phenyl)-1-phenyl-prop-2-en-1-ol → 3-nitrochalcone (614-48-2,24721-24-2)

Guidance literature:

With 1,4-dibenzyl-1,4-diazoniabicyclo[2.2.2]octane chlorochromate; In acetonitrile; for 1h; Heating;

upstream raw materials:

3-nitro-benzaldehyde

acetophenone

1-phenylbutan-1,3-dione

4-chlorobenzaldehyde

Downstream raw materials:

[1-(3-nitro-phenyl)-3-oxo-3-phenyl-propyl]-malonic acid diethyl ester

3-(3-methoxy-phenylsulfanyl)-3-(3-nitro-phenyl)-1-phenyl-propan-1-one

m-nitrobenzalacetophenone dibromide

m-aminochalcone

Refernces

• 1、 Kaur, Mandeep,Kaushal, Raj. "Synthesis, characterization and α-amylase and α-glucosidase inhibition studies of novel vanadyl chalcone complexes". . . Retrieved 2020/10/06.
• 2、 Jadhav, Hemant R.,Jain, Priti,Wadhwa, Pankaj K.. "Design, synthesis and evaluation of 2,4,6-substituted pyrimidine derivatives as BACE-1 inhibitor: Plausible lead for alzheimer’s disease". . p. 1194 - 1206. Retrieved 2021/12/21.