946-68-9

Basic information

• Product Name: (E)-4-(3-nitrophenyl)but-3-en-2-one
• CAS NO: 946-68-9
• Molecular Weight: 191.186
• Mol File: 946-68-9.mol
• Article Data: 34

Chemical Properties

• CAS DataBase Reference: (E)-4-(3-nitrophenyl)but-3-en-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-4-(3-nitrophenyl)but-3-en-2-one(946-68-9)
• EPA Substance Registry System: (E)-4-(3-nitrophenyl)but-3-en-2-one(946-68-9)

Safety Data

• Hazardous Substances Data: 946-68-9(Hazardous Substances Data)

Upstream product

• 1670-14-0 benzamidine monohydrochloride 
• 29197-19-1 3-(3-nitrobenzylidene)pentane-2,4-dione 
• 99-61-6 3-nitro-benzaldehyde 
• 67-64-1 acetone 
• 14230-31-0 1-triethylstannanyl-propan-2-one 
• 129277-18-5 4-hydroxy-4-(3-nitrophenyl)-butan-2-one 
• 71787-52-5 1-(3-nitrophenyl)-3-buten-1-ol 
• 123-42-2 4-Hydroxy-4-methyl-2-pentanone 
• 4202-14-6 dimethyl (2-oxopropyl)phosphonate 
• 75-36-5 acetyl chloride 
• 108-24-7 acetic anhydride 
• 674-82-8 4-methyleneoxetan-2-one 
• 40891-03-0 3-(dimorpholinomethyl)-1-nitrobenzene 
• 111011-80-4 2-acetonyl-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinane 

Downstream Products

• 97481-60-2 6-amino-5-(1-methyl-m-nitrocinnamylidene)-1,3-dimethyluracil 
• 97481-65-7 2-(3-nitrophenyl)-4,7,9-trimethyl-6-hydroxy-8-oxo-2,3-dihydropyrimidino<5,6-b>-1,5-diazepine 
• 39896-35-0 4-(3-amino-phenyl)-butan-2-one 
• 882-26-8 3-nitro-β-nitrostyrene 
• 64-19-7 acetic acid 
• 67-64-1 acetone 
• 121-92-6 3-nitrobenzoic acid 
• 159208-10-3 2,7,7-Trimethyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-5(1H)quinolone 
• 1017571-97-9 1-cyano-2,6-bis-(3-nitro-phenyl)-4-oxo-cyclohexanecarboxylic acid methyl ester 
• 1308256-07-6 2,2,2-trifluoro-N-(4-(N-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)sulfamoyl)-3-(3-oxobutyl)phenyl)acetamide 
• 1308256-06-5 2-(3-oxobutyl)-4-(2,2,2-trifluoroacetamido)benzene-1-sulfonyl chloride 
• 1019769-80-2 2,2,2-trifluoro-N-[3-(3-oxobutyl)phenyl]acetamide 
• 132294-95-2 (R)-4-hydroxy-3-[1-(3-nitrophenyl)-3-oxo-butyl]-chromen-2-one 
• 132295-03-5 S-3'-nitrowarfarin 

Relevant articles and documents

A tandem Aldol condensation/dehydration co-catalyzed by acylase and N-heterocyclic compounds in organic media

A tandem Aldol condensation/dehydration of aldehydes and ketones could be performed under d-aminoacylase and N-heterocyclic compounds used as co-catalyst in organic media. Some control experiments have been designed to demonstrate that either acylase or N-heterocyclic compounds could not catalyze the tandem reaction. The acylase showed the highest activity in the presence of imidazole and has been used to catalyze the tandem Aldol condensation/dehydration between different aldehydes and ketones. This method has provided a new strategy to perform the tandem Aldol condensation/dehydration and expanded the application of biocatalysts.

Synthesis method of dihydropyridine drug degradation impurity

The invention belongs to the technical field of organic synthesis, and particularly relates to a method for synthesizing dihydropyridine drug degradation impurities, which comprises the following steps of: reacting 3-nitrobenzaldehyde and acetone dimethyl phosphate serving as raw materials to obtain an intermediate 1, and then sequentially reacting with methyl acetoacetate and polyphosphoric acid to finally obtain a degradation impurity I and a degradation impurity II, the yield of the degraded impurity I is 30-35%, the purity of the degraded impurity I reaches 97% or above, the yield of the degraded impurity II is 25-30%, and the purity of the degraded impurity II reaches 97% or above. The high-purity dihydropyridine drug degradation impurity I and the high-purity dihydropyridine drug degradation impurity II are prepared through a chemical synthesis method and can be further used for pharmacological and toxicological research on the degradation impurity I and the degradation impurity II, and sample support is provided for research on side effects of dihydropyridine drug impurities. Meanwhile, the compound can be used as an impurity working standard substance for HPLC analysis of related substances of dihydropyridine drugs.

Access to Spirocyclic Benzothiophenones with Multiple Stereocenters via an Organocatalytic Cascade Reaction

The present report describes an organocatalytic cascade reaction between 2-alkylidene benzo[b]thiophenone derivatives and enones in the presence of the Cinchona alkaloid amine. Spirobenzothiophenonic cyclohexane derivatives containing three stereocenters were prepared via one-step synthesis in yields ranging from 88 to 96% and in enantioselectivities (enantiomeric excess (ee)) ranging from 85 to 97%, with diastereoselectivities of approximately 14/2/1. Therefore, this method provides an efficient route for the synthesis of a new class of optically active 2-spirobenzothiophenones.