6159-25-7

Basic information

• Product Name: 1-(4-Nitrophenyl)-1,2-propanedione
• Synonyms: 1-(4-NITROPHENYL)-1,2-PROPANDIONE;1-(4-NITROPHENYL)-1,2-PROPANEDIONE;1-(4-NITROPHENYL)PROPANE-1,2-DIONE;LABOTEST-BB LT00645353;4-(2-Oxopropanoyl)nitrobenzene
• CAS NO: 6159-25-7
• Molecular Formula: C₉H₇NO₄
• Molecular Weight: 193.16
• Product Categories: API intermediates
• Mol File: 6159-25-7.mol
• Article Data: 5

Chemical Properties

• Melting Point: 86-88
• Boiling Point: 52-54°C/0.05mm
• Flash Point: 170.5 °C
• Appearance: /
• Density: 1.319 g/cm³
• Vapor Pressure: 0.00993mmHg at 25°C
• Refractive Index: 1.517
• CAS DataBase Reference: 1-(4-Nitrophenyl)-1,2-propanedione(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-Nitrophenyl)-1,2-propanedione(6159-25-7)
• EPA Substance Registry System: 1-(4-Nitrophenyl)-1,2-propanedione(6159-25-7)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 6159-25-7(Hazardous Substances Data)

Usage

General Description

1-(4-Nitrophenyl)-1,2-propanedione is a chemical compound with the molecular formula C9H7NO4. It is a yellow crystalline solid that is used primarily as a reagent in the synthesis of pharmaceuticals and other organic compounds. 1-(4-Nitrophenyl)-1,2-propanedione is often employed in the preparation of chiral ligands and catalysts for asymmetric synthesis. Additionally, it is used as a precursor in the production of various dyes and pigments. 1-(4-Nitrophenyl)-1,2-propanedione is a versatile building block in organic chemistry and is valued for its ability to introduce specific functional groups into various chemical structures. It is important to handle this compound with caution, as it is a potential irritant and may pose health hazards if not used properly.

InChI:InChI=1/C10H16N2O/c1-10(2,3)13-9-8(7-11)5-4-6-12-9/h4-6H,7,11H2,1-3H3

Upstream product

• 129309-41-7 2-methyl-1-(4-nitrophenyl)propane-1,3-diol 
• 25798-60-1 (1-nitro-4-(prop-1-en-1-yl)benzene) 
• 636-98-6 p-nitrobenzene iodide 
• 89185-83-1 3-(4-nitrophenyl)-pentane-2,4-dione 
• 7647-01-0 hydrogenchloride 
• 3123-13-5 N-[1-hydroxymethyl-2-(4-nitro-phenyl)-2-oxo-ethyl]-acetamide 
• 100061-01-6 N-[1-(α-hydroxy-4-nitro-benzyl)-vinyl]-acetamide 
• 64-18-6 formic acid 
• 108-24-7 acetic anhydride 
• 555-16-8 4-nitrobenzaldehdye 

Downstream Products

• 312268-91-0 methyl 2,5-dimethyl-4-(4-nitrophenyl)-1H-pyrrole-3-carboxylate 
• 95838-64-5 2,5-Dimethyl-4-(4-nitrophenyl)-3-pyrrolcarbonsaeure-ethylester 
• 6158-99-2 2-methyl-3-(4-nitrophenyl)quinoxaline 

Relevant articles and documents

Iron-catalyzed aerobic oxidative cleavage of the C-C σ-bond using air as the oxidant: Chemoselective synthesis of carbon chain-shortened aldehydes, ketones and 1,2-dicarbonyl compounds

A simple iron-catalyzed aerobic oxidative C-C σ-bond cleavage of ketones has been developed. Readily available and environmentally benign air is used as the oxidant. This reaction avoids the use of noble metal catalysts or specialized oxidants, chemoselectively yielding carbon chain-shortened aldehydes, ketones and 1,2-dicarbonyl compounds without overoxidation.

2-Iodoxybenzoic acid mediated facile conversion of 1,3-diols to 1,2-diketones by oxidative cleavage of the C-C bond

1,3-Diols undergo smooth oxidative cleavage of the C-C bond in the presence of 2-iodoxybenzoic acid (IBX) affording 1,2-diketones in excellent yields under mild conditions. Georg Thieme Verlag Stuttgart.

Cobalt(II) Chloride Catalysed Coupling of Acetic Anhydride with Aldehydes. A Novel Synthesis of Asymmetrical 1,2-Diones

Cobalt(II) chloride in acetonitrile efficiently catalyses the coupling of acetic anhydride with various aldehydes to the corresponding 1,2-diones in very high yields.