(4-Methoxyphenyl)[3-(4-nitrophenyl)-2-oxiranyl]methanone

Base Information

• Chemical Name: (4-Methoxyphenyl)[3-(4-nitrophenyl)-2-oxiranyl]methanone
• CAS No.: 27547-03-1
• Molecular Formula: C₁₆H₁₃NO₅
• Molecular Weight: 299.283
• DSSTox Substance ID: DTXSID001202118

Synonyms:(4-Methoxyphenyl)[3-(4-nitrophenyl)-2-oxiranyl]methanone;DTXSID001202118;27547-03-1

Chemical Property of (4-Methoxyphenyl)[3-(4-nitrophenyl)-2-oxiranyl]methanone

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 299.07937252
• Heavy Atom Count: 22
• Complexity: 419

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C2C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of (4-Methoxyphenyl)[3-(4-nitrophenyl)-2-oxiranyl]methanone

There total 2 articles about (4-Methoxyphenyl)[3-(4-nitrophenyl)-2-oxiranyl]methanone 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: 75.0%

4'-methoxy-4-nitrochalcone (6552-67-6) → (4-Methoxy-phenyl)-[(2S,3R)-3-(4-nitro-phenyl)-oxiranyl]-methanone (27547-03-1,32157-65-6)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; In 1,4-dioxane; ethanol; at 40 - 45 ℃;

DOI:10.1007/BF00503591

Reference yield:

→ (4-methoxy-phenyl)-[3-(4-nitro-phenyl)-oxiranyl]-methanone (27547-03-1)

Guidance literature:

entspr. 4-Methoxy-phenacylhalogenid, 4-Nitrobenzaldehyd;

Reference yield: 59.0%

(4-Methoxy-phenyl)-[(2S,3R)-3-(4-nitro-phenyl)-oxiranyl]-methanone (27547-03-1,32157-65-6) + acetone (67-64-1) → [(4S,5R)-2,2-Dimethyl-5-(4-nitro-phenyl)-[1,3]dioxolan-4-yl]-(4-methoxy-phenyl)-methanone (93850-86-3)

Guidance literature:

boron trifluoride diethyl etherate; for 264h;

DOI:10.1007/BF00503591

upstream raw materials:

4'-methoxy-4-nitrochalcone

Downstream raw materials:

2-hydroxy-1-(4-methoxy-phenyl)-3-morpholin-4-yl-3-(4-nitro-phenyl)-propan-1-one

4'-methoxy-4-nitrochalcone

[(4S,5R)-2,2-Dimethyl-5-(4-nitro-phenyl)-[1,3]dioxolan-4-yl]-(4-methoxy-phenyl)-methanone

[2-Chloro-3-(4-methoxy-phenyl)-1-(4-nitro-phenyl)-3-oxo-propyl]-thiocarbamic acid S-methyl ester

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