4'-Nitroflavanone

Base Information

• Chemical Name: 4'-Nitroflavanone
• CAS No.: 3034-09-1
• Molecular Formula: C₁₅H₁₁NO₄
• Molecular Weight: 269.257
• DSSTox Substance ID: DTXSID00457015
• Nikkaji Number: J46.326D
• Mol file: 3034-09-1.mol

Synonyms:4'-Nitroflavanone;3034-09-1;4h-1-benzopyran-4-one,2,3-dihydro-2-(4-nitrophenyl)-;4'-nitro flavanone;DTXSID00457015;TULCIAFZYJZBAM-UHFFFAOYSA-N;2-(4-Nitrophenyl)-2,3-dihydro-4H-1-benzopyran-4-one

Chemical Property of 4'-Nitroflavanone

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 269.06880783
• Heavy Atom Count: 20
• Complexity: 384

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 4'-Nitroflavanone

There total 14 articles about 4'-Nitroflavanone 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'-nitro-2-hydroxychalcone (161226-49-9) → 4'-nitroflavanone (3034-09-1,127089-56-9,140631-45-4)

Guidance literature:

With phosphomolybdic acid supported on silica; In ethanol; for 8h; Reflux; Inert atmosphere;

DOI:10.1007/s00706-011-0663-7

Reference yield: 93.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) + 4-nitrobenzaldehdye (555-16-8) → 4'-nitroflavanone (3034-09-1,127089-56-9,140631-45-4)

Guidance literature:

With C₄₀H₅₈N₄; In neat (no solvent); at 150 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.molcata.2014.08.004

Reference yield: 93.0%

1-(2-hydroxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one (38270-09-6,52923-40-7,58202-22-5) → 4'-nitroflavanone (3034-09-1,127089-56-9,140631-45-4)

Guidance literature:

With magnesium carbonate hydroxide hydrate; In water; for 3h; Reflux;

DOI:10.1002/adsc.201300555

upstream raw materials:

(E)-2'-hydroxy-4-nitrochalcone

o-hydroxyacetophenone

4-nitrobenzaldehdye

1-(2-hydroxyphenyl)-3-phenyl-1,3-propanedione

Downstream raw materials:

(E)-2'-hydroxy-4-nitrochalcone

4'-nitroflavone

3-(4-nitrophenyl)-4H-1-benzopyran-4-one

C₁₆H₁₄N₄O₄