3-NITRO-GAMMA-OXO-BENZENEBUTANOIC ACID

Base Information

• Chemical Name: 3-NITRO-GAMMA-OXO-BENZENEBUTANOIC ACID
• CAS No.: 6328-00-3
• Molecular Formula: C10H9NO5
• Molecular Weight: 223.185
• Hs Code.: 2918300090
• Mol file: 6328-00-3.mol

Synonyms:4-Oxo-4-(3-nitrophenyl)butanoic acid;γ-Oxo-3-nitrobenzenebutyric acid;4-(3-Nitrophenyl)-4-oxobutanoic acid;NSC 23237;NSC 44437;Propionicacid, 3-(m-nitrobenzoyl)- (6CI,7CI,8CI);3-(3-Nitrobenzoyl)propionic acid;

Chemical Property of 3-NITRO-GAMMA-OXO-BENZENEBUTANOIC ACID

Chemical Property:

• Vapor Pressure: 2.95E-07mmHg at 25°C
• Melting Point: 165-166℃
• Refractive Index: 1.583
• Boiling Point: 404.1 °C at 760 mmHg
• PKA: 4.34±0.17(Predicted)
• Flash Point: 176.8 °C
• PSA: 100.19000
• Density: 1.391 g/cm³
• LogP: 2.16550

Purity/Quality:

99% ^*data from raw suppliers

4-(3-nitrophenyl)-4-oxobutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-NITRO-GAMMA-OXO-BENZENEBUTANOIC ACID

There total 8 articles about 3-NITRO-GAMMA-OXO-BENZENEBUTANOIC ACID 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: 65.0%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + morpholin-4-yl-(3-nitro-phenyl)-acetonitrile (28951-72-6) → 4-(3-nitro-phenyl)-4-oxo-butyric acid (6328-00-3)

Guidance literature:

morpholin-4-yl-(3-nitro-phenyl)-acetonitrile; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

acrylic acid methyl ester; In N,N-dimethyl-formamide; at 0 - 20 ℃;

Reference yield: 63.0%

succinylbenzene (2051-95-8) → 4-(3-nitro-phenyl)-4-oxo-butyric acid (6328-00-3)

Guidance literature:

With nitric acid; for 2h; Cooling with ice;

DOI:10.1016/j.bmc.2011.07.038

Reference yield:

4-(3-nitro-phenyl)-4-oxo-crotonic acid (13130-14-8) → 4-(3-nitro-phenyl)-4-oxo-butyric acid (6328-00-3)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran;

upstream raw materials:

succinylbenzene

sulfuric acid

nitric acid

acrylic acid methyl ester

Downstream raw materials:

3-nitrobenzoic acid

C₁₂H₁₃N₃O

C₁₇H₁₅N₃O₂

C₁₈H₁₇N₃O₂

Refernces

• 1、 Mohamed Farook,Manochitra,Afroos Banu. "Kinetics and mechanism of oxidation of substituted 4-oxoacids by N-bromosaccharin". . p. 239 - 250. Retrieved 2013/08/24.
• 2、 Samanta, Kartick Chandra,Asif, Mohd.,Pooja,Garg, Vikas,Sharma, Priyanka,Singh, Ravinder. "Synthesis of different substituted pyridazinone derivatives and their anticonvulsant activity". experimental part. p. 245 - 251. Retrieved 2012/02/04.