4-(2-NITRO-PHENYL)-3-OXO-BUTYRIC ACID METHYL ESTER

Base Information

• Chemical Name: 4-(2-NITRO-PHENYL)-3-OXO-BUTYRIC ACID METHYL ESTER
• CAS No.: 119209-56-2
• Molecular Formula: C11H11NO5
• Molecular Weight: 237.212
• Mol file: 119209-56-2.mol

Synonyms:4-(2-NITRO-PHENYL)-3-OXO-BUTYRIC ACID METHYL ESTER;2-NITRO-BETA-OXO-BENZENEBUTANOIC ACID METHYL ESTER;Methyl 4-(2-nitrophenyl)-3-oxobutanoate

Chemical Property of 4-(2-NITRO-PHENYL)-3-OXO-BUTYRIC ACID METHYL ESTER

Chemical Property:

• Boiling Point: 344.3±22.0 °C(Predicted)
• PKA: 10.15±0.46(Predicted)
• PSA: 89.19000
• Density: 1.287±0.06 g/cm3(Predicted)
• LogP: 1.79270

Purity/Quality:

97% ^*data from raw suppliers

Methyl 4-(2-nitrophenyl)-3-oxobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(2-NITRO-PHENYL)-3-OXO-BUTYRIC ACID METHYL ESTER

There total 4 articles about 4-(2-NITRO-PHENYL)-3-OXO-BUTYRIC ACID METHYL 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: 84.0%

2-acetyl-4-(2-nitro-phenyl)-3-oxo-butyric acid methyl ester (160206-92-8) → methyl 4-(2-nitrophenyl)-3-oxobutyrate (119209-56-2)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 1h;

DOI:10.1081/SCC-120002520

Reference yield:

monomethyl monopotassium malonate (38330-80-2) + 1-imidazol-1-yl-2-(2-nitro-phenyl)-ethanone → methyl 4-(2-nitrophenyl)-3-oxobutyrate (119209-56-2)

Guidance literature:

monomethyl monopotassium malonate; With magnesium chloride; In tetrahydrofuran; at 65 ℃; for 5h; Inert atmosphere;

1-imidazol-1-yl-2-(2-nitro-phenyl)-ethanone; In tetrahydrofuran; at 30 ℃; for 24h; Inert atmosphere;

DOI:10.1039/b913336d

Reference yield:

(2-nitrophenyl)acetyl chloride (22751-23-1) → methyl 4-(2-nitrophenyl)-3-oxobutyrate (119209-56-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 3.57 g / NaH / tetrahydrofuran / 16 h / 20 °C

2: 84 percent / MeONa / methanol / 1 h / 20 °C

With sodium methylate; sodium hydride; In tetrahydrofuran; methanol;

DOI:10.1081/SCC-120002520

upstream raw materials:

2-acetyl-4-(2-nitro-phenyl)-3-oxo-butyric acid methyl ester

(2-nitrophenyl)acetyl chloride

2-(2-nitrophenyl)acetic acid

monomethyl monopotassium malonate

Downstream raw materials:

(Z)-3-Amino-4-(2-nitrophenyl)crotonsaeure-methylester

2-(2-Aminobenzyl)-4-methylnicotinsaeure-methylester

4-Methyl-2-(2-nitrobenzyl)nicotinsaeure-methylester

{2-[2-(2-Nitro-phenyl)-acetyl]-phenyl}-acetic acid methyl ester

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