Ethyl 4-(4-nitrophenyl)-4-oxobutyrate

Base Information

• Chemical Name: Ethyl 4-(4-nitrophenyl)-4-oxobutyrate
• CAS No.: 15118-70-4
• Molecular Formula: C₁₂H₁₃NO₅
• Molecular Weight: 251.239
• DSSTox Substance ID: DTXSID20573807
• Nikkaji Number: J1.449.356E
• Wikidata: Q82462634
• Mol file: 15118-70-4.mol

Synonyms:ETHYL 4-(4-NITROPHENYL)-4-OXOBUTYRATE;15118-70-4;ethyl 4-(4-nitrophenyl)-4-oxobutanoate;MFCD02261334;SCHEMBL6650881;DTXSID20573807;VXQOHLGYAHDYBT-UHFFFAOYSA-N;AKOS010910719;ETHYL4-(4-NITROPHENYL)-4-OXOBUTYRATE

Chemical Property of Ethyl 4-(4-nitrophenyl)-4-oxobutyrate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 251.07937252
• Heavy Atom Count: 18
• Complexity: 315

Purity/Quality:

95% ^*data from raw suppliers

Ethyl4-(4-nitrophenyl)-4-oxobutyrate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Ethyl 4-(4-nitrophenyl)-4-oxobutyrate

There total 6 articles about Ethyl 4-(4-nitrophenyl)-4-oxobutyrate 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: 71.0%

diazoacetic acid ethyl ester (623-73-4) + 1-morpholino-1-(4-nitrophenyl)ethene (55949-67-2) → ethyl 4-(4-nitrophenyl)-4-oxobutanoate (15118-70-4)

Guidance literature:

With copper(II) hexafluoro-2,4-pentanedionate; In fluorobenzene; Heating;

DOI:10.1081/SCC-200050387

Reference yield: 50.0%

triethyl orthoacrylate (42216-96-6) + 4-nitro-benzoyl chloride (122-04-3) → ethyl 4-(4-nitrophenyl)-4-oxobutanoate (15118-70-4)

Guidance literature:

With CuCN; In toluene;

DOI:10.1016/S0040-4039(00)01822-0

Reference yield:

4-nitrobenzaldehdye (555-16-8) + ethyl acrylate (140-88-5,9003-32-1) → (E)-ethyl 4-hydroxy-4-(4-nitrophenyl)but-2-enoate (1417403-42-9) + ethyl 4-(4-nitrophenyl)-4-oxobutanoate (15118-70-4)

Guidance literature:

With P(p-CH₃OC₆H₄)3; In chloroform; at 60 ℃; for 24h; Reagent/catalyst; Temperature; Solvent; Time; Overall yield = 80 %;

DOI:10.1080/00397911.2011.610551

upstream raw materials:

2,2-diethoxy-5-(4-nitro-phenyl)-2,3-dihydro-furan

ethyl 3-iodopropanoate

4-nitro-benzoyl chloride

triethyl orthoacrylate

Downstream raw materials:

4-(4-nitrophenyl)pent-4-enal

ethyl 4-(4-aminophenyl)-4-oxobutyrate

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