536760-29-9

Basic information

• Product Name: 3-Chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one
• Synonyms: 2(1H)-pyridine,3-chloro-5,6-dihydro-1-(4-nitrophenyl);3-Chloro-5,6-dihydro-1-(4-nitrophenyl)-2(1H)-pyridinone;(1H)-pyridine,3-chloro-5,6-dihydro-1-(4-nitrophenyl);3-chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one;2(1H)-Pyridinone,3-chloro-5,6-dihydro-1-(4-nitrophenyl)-;3-chloro-5,6-dihydro-1-(4-nitrophenyl)2(1H)-pyridine;3-Chloro-1-(4-nitrophenyl);3-Chloro-5,6-dihydro-l-(4-nitrophenyl)-2(IH)-pyridinone
• CAS NO: 536760-29-9
• Molecular Formula: C11H9ClN2O3
• Molecular Weight: 252.66
• EINECS: 1312995-182-4
• Mol File: 536760-29-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 412.167 °C at 760 mmHg
• Flash Point: 203.072 °C
• Appearance: /
• Density: 1.45
• Storage Temp.: 2-8°C
• PKA: -5.80±0.40(Predicted)
• CAS DataBase Reference: 3-Chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one(536760-29-9)
• EPA Substance Registry System: 3-Chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one(536760-29-9)

Safety Data

• Hazardous Substances Data: 536760-29-9(Hazardous Substances Data)

Usage

Description

3-Chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one is an organic compound that belongs to the class of dihydropyridines. It is characterized by its white powder appearance and is known for its specific chemical structure, which includes a chloro group and a nitrophenyl group attached to the dihydropyridine ring. 3-Chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one is of interest in the field of pharmaceuticals due to its potential applications.

Uses

Used in Pharmaceutical Industry:
3-Chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one is used as a key intermediate in the synthesis of Apixaban, which is an oral anticoagulant medication. Apixaban is prescribed for the prevention of stroke and systemic embolism in patients with non-valvular atrial fibrillation, as well as for the treatment and prevention of deep vein thrombosis and pulmonary embolism.
Additionally, this compound is also utilized in the preparation of impurities related to Apixaban, which are essential for the development and quality control of the drug. The presence of impurities can affect the efficacy, safety, and stability of the final pharmaceutical product, making their study and control crucial in the drug development process.

InChI:InChI=1S/C11H9ClN2O3/c12-10-2-1-7-13(11(10)15)8-3-5-9(6-4-8)14(16)17/h2-6H,1,7H2

Upstream product

• 881386-01-2 3,3-dichloro-1-(4-nitrophenyl)piperidine-2-one 
• 4509-90-4 5-bromovaleroyl chloride 
• 38560-30-4 1-(4-nitrophenyl)piperidine-2-one 
• 100-01-6 4-nitro-aniline 

Downstream Products

• 503612-45-1 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carbonitrile 
• 503614-91-3 1-(4-methoxy-phenyl)-7-oxo-6-[4-(2-oxo-piperidin-1-yl)-phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester 
• 536759-91-8 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo- 1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester 
• 1421823-20-2 ethyl 6-(4-(N-(4-chlorobutyl)carboxamido)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate 

Relevant articles and documents

Preparation method of apixaban and intermediates thereof

The invention discloses a preparation method of apixaban and intermediates thereof. The invention provides a preparation method of an apixaban intermediate I. The preparation method of the apixaban intermediate I comprises the step of performing nucleophilic substitution reaction on an apixaban intermediate II and p-fluoronitrobenzene in an organic solvent in the presence of an alkali to obtain the apixaban intermediate I. The preparation method has short steps, simple and safe operation, simple post-treatment steps, environmental friendliness and high total yield, and the obtained product hashigh purity, low production cost and high atomic utilization, and is suitable for industrial production. The formula is shown in the description.

Process for preparing 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones

A novel process and intermediates thereof for making 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones of the type shown below from appropriate phenyl hydrazines is described. These compounds can be useful as factor Xa inhibitors.