1657-28-9

Basic information

• Product Name: 3-oxo-N-2-pyridylbutyramide
• Synonyms: 3-oxo-N-2-pyridylbutyramide;N-(2-Pyridinyl)-3-oxobutanamide;N-(2-Pyridyl)-3-oxobutanamide;Butanamide, 3-oxo-N-2-pyridinyl-
• CAS NO: 1657-28-9
• Molecular Formula: C₉H₁₀N₂O₂
• Molecular Weight: 178.1879
• EINECS: 216-756-1
• Mol File: 1657-28-9.mol
• Article Data: 20

Chemical Properties

• Melting Point: 113 °C
• Boiling Point: 407.8°Cat760mmHg
• Flash Point: 200.4°C
• Appearance: /
• Density: 1.221g/cm³
• Vapor Pressure: 7.37E-07mmHg at 25°C
• Refractive Index: 1.57
• PKA: 10.71±0.46(Predicted)
• CAS DataBase Reference: 3-oxo-N-2-pyridylbutyramide(CAS DataBase Reference)
• NIST Chemistry Reference: 3-oxo-N-2-pyridylbutyramide(1657-28-9)
• EPA Substance Registry System: 3-oxo-N-2-pyridylbutyramide(1657-28-9)

Safety Data

• Hazardous Substances Data: 1657-28-9(Hazardous Substances Data)

Usage

General Description

3-oxo-N-2-pyridylbutyramide, also known as 2-pyridylacetoacetylamine, is a chemical compound with the molecular formula C10H12N2O2. It is a derivative of pyridine and belongs to the class of amides. 3-oxo-N-2-pyridylbutyramide is used in organic synthesis for the preparation of various pharmaceutical compounds. It is also used as an intermediate in the manufacturing of agricultural chemicals. 3-oxo-N-2-pyridylbutyramide has potential applications in the field of medicine and agriculture due to its unique chemical properties and reactivity. Additionally, it is important to handle this compound with care as it may pose certain health and environmental risks if not used and disposed of properly.

InChI:InChI=1/C9H10N2O2/c1-7(12)6-9(13)11-8-4-2-3-5-10-8/h2-5H,6H2,1H3,(H,10,11,13)

Upstream product

• 674-82-8 4-methyleneoxetan-2-one 
• 504-29-0 2-aminopyridine 
• 141-97-9 ethyl acetoacetate 
• 15925-47-0 S-tert-butyl acetothioacetate 
• 5394-63-8 2,2,6-trimethyl-4H-1,3-dioxin-4-one 
• 1118-84-9 allyl acetoacetate 
• 105-45-3 acetoacetic acid methyl ester 

Downstream Products

• 1260162-23-9 C₁₉H₁₅ClN₄O₃S 
• 1260162-20-6 3-oxo-N-(pyrid-2-yl)-2-(2-(4-sulfamoylphenyl)hydrazono)butanamide 
• 1260162-24-0 3-acetyl-5-methyl-N-(pyridin-2-yl)-1-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide 
• 1260162-22-8 C₁₉H₁₆N₄O₃S 
• 1384290-47-4 5-methyl-1-phenyl-N-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide 

Relevant articles and documents

DERIVATIVES OF THE N-(PYRID-2-YL)AMIDES OF 3-AMINOCROTONIC ACID AS CHELATING LIGANDS

New chelating ligands, N-(pyrid-2-yl)amides of 4,4,4-trichloro-3-amino-2-cyanocrotonic acid have been synthesized from N-(pyrid-2-yl)amides of cyanoacetic acid and CCl3CN.It has been demostrated that by the action of butylthiodibutylborane they form binuclear boron chelate complexes.Analogous chelates have been obtained from the N-(pyrid-2-yl)amides of acetoacetic and 4,4,4-trichloro-3-aminocrotonic acids. Keywords: acylaminopyridines, trichloroacetonitrile, boron chelates

Pyrazole clubbed triazolo[1,5-a]pyrimidine hybrids as an anti-tubercular agents: Synthesis, in vitro screening and molecular docking study

A series of novel pyrazole linked triazolo-pyrimidine hybrids were synthesized and evaluated for their anti-tuberculosis activity against M.tb H37Rv strain. Some of the screened entities rendered promising anti-tb activity (MIC: 0.39 μg/mL) and were found non toxic against Vero cells (IC50: ≥20 μg/mL). Further, the docking study against wild type InhA enzyme of Mycobacterium tuberculosis using Glide reproduced the most active inhibitors (J21 and J27) with lowest binding energies and highest Glide XP scores demonstrating efficient binding to the active pocket. Additionally, the enzyme inhibition assay and ADME prediction of the active proved to be an attest to the possibility of developing compound J27 as a potent anti-tubercular lead.

Synthesis and anticonvulsant activity of some 1,4-dihydropyridine derivatives

A series of asymmetrical 4-alkyl/aryl-2,6-dimethyl-3-N-(aryl/heteroaryl)-carbamoyl-5-ethoxycarbonyl-1, 4-dihydropyridines 3a-d and symmetrical 4-alkyl/aryl-2,6-dimethyl-3,5-bis-(ethoxycarbonyl)-1,4-dihydropyridines 4a and 4b have been prepared by the condensation of various benzaldehydes, ethylacetoacetate, 2-aminopyridine or p-toludine in ethanol (Hantzch method). The structures of all the synthesized 1,4-dihydropyridine derivatives have been confirmed by spectral data (IR,1H NMR) and elemental analysis. Compounds 3a-c, 4a and 4b (10 mg/kg) have been evaluated for their anticonvulsant effect against pentylenetetrazole- induced convulsions with phenytoin (4 mg/kg) as the standard. The anticonvulsant potential of the newly synthesized compounds have been assessed on the basis of increase in latency (onset time) to induce convulsions; decrease in number of convulsions and increase in latency of death compared to control and standard.

Metal and Solvent-Free Synthesis of 2H-Pyrido[1,2-a]pyrimidin-2-ones Catalyzed by Elemental Sulfur

The efficiency of elemental sulfur for the synthesis of 2H-pyrido[1,2-a]pyrimidin-2-ones has been demonstrated. This strategy involves coupling of 2-aminopyridines and β-oxo esters under neat condition in the absence of external oxidant. The reaction does not require pre-functionalization of the substrates, thus making it an alternate approach for the synthesis of 2H-pyrido[1,2-a]pyrimidin-2-ones. The reaction was tolerant to several substituted 2-aminopyridines and β-oxo esters.