(E)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one

Base Information

• Chemical Name: (E)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
• CAS No.: 20432-03-5
• Molecular Formula: C16H13NO4
• Molecular Weight: 283.284
• NSC Number: 75522
• DSSTox Substance ID: DTXSID901195126
• Nikkaji Number: J1.247.777E,J402.952F,J236.574J
• ChEMBL ID: CHEMBL2298382
• Mol file: 20432-03-5.mol

Synonyms:6552-62-1;(E)-3-(4-Methoxy-phenyl)-1-(4-nitro-phenyl)-propenone;(E)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one;3-(4-methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one;(2E)-3-(4-Methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one;4-Methoxy-4'-nitrochalcone;MLS002693941;NSC75522;CHEMBL2298382;SCHEMBL14435873;(E)-4-Methoxy-4'-nitrochalcone;OEFOVQFJRDIUTL-NYYWCZLTSA-N;trans-4-Methoxy-4'-nitrochalcone;DTXSID901195126;CCG-10182;MFCD00024746;NSC-75522;AKOS001059370;BIM-0023759.P001;SR-01000211692;SR-01000211692-1;Z46032823;(2E)-3-(4-Methoxyphenyl)-1-(4-nitrophenyl)-2-propen-1-one;(2Z)-3-(4-Methoxyphenyl)-1-(4-nitrophenyl)-2-propen-1-one;(2E)-3-(4-Methoxyphenyl)-1-(4-nitrophenyl)-2-propen-1-one #;20432-03-5

Chemical Property of (E)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 283.08445790
• Heavy Atom Count: 21
• Complexity: 386

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
• Isomeric SMILES: COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of (E)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one

There total 3 articles about (E)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)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: 93.0%

4-methoxy-benzaldehyde (123-11-5) + (4-nitrophenyl)ethanone (100-19-6) → (E)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-2-propen-1-one (20432-03-5)

Guidance literature:

calcined NaNO₃; natural phosphate; In methanol; at 20 ℃; for 16h;

DOI:10.1016/S0040-4039(01)01698-7

Reference yield: 71.0%

C14H11N2O3(1+)*BF4(1-) + 4-methoxyphenylboronic acid (5720-07-0) → (E)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-2-propen-1-one (20432-03-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; tricyclohexylphosphine; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In tetrahydrofuran; at 150 ℃; for 0.2h; microwave irradiation;

DOI:10.1021/ol063027h

Reference yield:

→ (E)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-2-propen-1-one (20432-03-5)

Guidance literature:

p-Methoxybenzaldehyd, p-Nitroacetophenon;

upstream raw materials:

4-methoxy-benzaldehyde

(4-nitrophenyl)ethanone

4-methoxyphenylboronic acid

Downstream raw materials:

3-(4-methoxyphenyl)-4-nitro-1-(4-nitrophenyl)butan-1-one

3-(4-methoxyphenyl)-1-(4-nitrophenyl)hex-5-en-1-one

(E)-ethyl 2-(4-(4-methoxyphenyl)-6-(4-nitrophenyl)-3,4-dihydro-2H-pyran-2-ylidene)acetate

(E)-ethyl 2-(4-(4-methoxyphenyl)-6-(4-nitrophenyl)-3,4-dihydro-2H-pyran-2-ylidene)acetate