Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester

Base Information

• Chemical Name: Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester
• CAS No.: 15802-69-4
• Molecular Formula: C13H13NO5
• Molecular Weight: 263.25
• Mol file: 15802-69-4.mol

Synonyms:2-(4-nitrobenzylidene)acetoacetic acid ethyl ester;2-Acetyl-3-(4-nitro-phenyl)-acrylsaeure-aethylester;Butanoic acid,2-[(4-nitrophenyl)methylene]-3-oxo-,ethyl ester;2-[(4-nitrophenyl)methylene]-3-oxobutanoic acid,ethyl ester;ethyl 2-(4-nitrobenzylidene)-3-oxobutanoate;2-acetyl-3-(4-nitro-phenyl)-acrylic acid ethyl ester;

Chemical Property of Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester

Chemical Property:

• Melting Point: 164 °C(Solv: ethanol (64-17-5))
• Boiling Point: 380.6±27.0 °C(Predicted)
• PSA: 89.19000
• Density: 1.261±0.06 g/cm3(Predicted)
• LogP: 2.65350

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester

There total 14 articles about Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester 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: 85.0%

ethyl acetoacetate (141-97-9) + 4-nitrobenzaldehdye (555-16-8) → ethyl 2-(4-nitrobenzylidene)-3-oxobutanoate (15802-69-4)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1007/s11164-011-0322-y

Reference yield: 75.0%

3-acetoxy-1-ethoxy-3-(p-nitrophenyl)-1-propyne → 2-(4-nitrophenylmethylene)acetoacetic acid ethyl ester (15802-69-4,52351-77-6,20047-97-6)

Guidance literature:

platinum(II) chloride; In dichloromethane; at 20 ℃;

DOI:10.1021/ja072864r

Reference yield: 74.0%

ethyl acetoacetate (141-97-9) + 4-nitrobenzaldehdye (555-16-8) → 2-(4-nitrophenylmethylene)acetoacetic acid ethyl ester (15802-69-4,52351-77-6,20047-97-6)

Guidance literature:

With lipase lipoprotein from Aspergillus niger; In dimethyl sulfoxide; at 35 ℃; for 48h; Green chemistry; Enzymatic reaction;

DOI:10.1016/j.catcom.2015.02.007

upstream raw materials:

ethyl acetoacetate

4-nitrobenzaldehdye

3-nitro-benzaldehyde

3-acetoxy-crotonic acid ethyl ester

Downstream raw materials:

(2R,3R,4R,5R)-ethyl 1-(4-methoxybenzyl)-2,5-dimethyl-4-(4-nitrophenyl)piperidine-3-carboxylate

6-Methyl-4-(4-nitro-phenyl)-2-phenyl-1,4-dihydro-pyrimidine-5-carboxylic acid ethyl ester

2-hydroxyethyl 2,6-dimethyl-3-carbethoxy-4-(4-nitrophenyl)-1,4-dihydropyridine-5-carboxylate

3-(p-nitrophenyl)-5-(3-hydroxypropyl)amino-2,4-diethoxycarbonyl-1-methyl-4-cyclohexen-1-ol