16867-56-4

Basic information

• Product Name: Ethyl 7-bromo-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate
• Synonyms: Ethyl 7-bromo-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate;Ethyl 7-broMo-4-oxo-4H-pyrido[1,2-a]pyriMidine-3-carboxylate;7-Bromo-4H-pyrido[1,2-a]pyrimidine-4-oxo-3-carboxylic acid ethyl ester
• CAS NO: 16867-56-4
• Molecular Formula: C11H9BrN2O3
• Molecular Weight: 297.10476
• Mol File: 16867-56-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 359.1±52.0 °C(Predicted)
• Appearance: /
• Density: 1 +-.0.1 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 0.06±0.50(Predicted)
• CAS DataBase Reference: Ethyl 7-bromo-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl 7-bromo-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate(16867-56-4)
• EPA Substance Registry System: Ethyl 7-bromo-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate(16867-56-4)

Safety Data

• Hazardous Substances Data: 16867-56-4(Hazardous Substances Data)

Usage

General Description

Ethyl 7-bromo-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate is a chemical compound with the molecular formula C10H7BrN2O3. It is a pyrido[1,2-a]pyrimidine derivative with a bromine atom and an ester functional group. Ethyl 7-bromo-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate is commonly used in the pharmaceutical and chemical industries as a building block for the synthesis of various biologically active molecules, such as potential drug candidates. Its structure and properties make it a versatile intermediate for the development of new compounds with potential pharmacological or agrochemical applications. The compound may be used as a research tool in drug discovery and development processes, and it could have potential medical and agricultural uses.

Upstream product

• 1072-97-5 5-bromo-2-pyridylamine 
• 40131-09-7 diethyl methoxymethylenemalonate 
• 16867-58-6 diethyl 2-[[(5-bromo-2-pyridyl)amino]methylene]propanedioate 
• 87-13-8 diethyl 2-ethoxymethylenemalonate 

Relevant articles and documents

Investigating structural aspects of Pyridopyrimidinone derivatives, an important precursor in medicinal chemistry

Pyridopyrimidinones are class of heterocyclic compounds which serves as important precursors in organic transformation and medicinal chemistry. In the current work three derivatives of pyrido[1,2-a]pyrimidine-3-carboxylates (1, 2 and 3) has been synthesized and characterized by NMR. The crystal structure of compound 1 (C12H12N2O3.HCl) and 2 (2(C12H12N2O3)) were solved in monoclinic system with P21/c space group and 3 (C11H9BrN2O3) shows concomitant polymorphism and solved in orthorhombic system with Pna21 and Pca21. The weak C—H?O and C—H…N intermolecular interactions play significant role in crystal packing of 4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylates. Replacement of methyl group in compound 1 with Bromine atom resulted 3 with increased π…π stacking interactions. The unexpected concomitant polymorphic forms of compounds 3 with details of the crystal structures and supramolecular features are presented. In addition, Hirshfeld surface and 2D fingerprint plots were performed to understand the various intermolecular non-covalent interactions in pyrido[1,2-a]pyrimidine-3-carboxylates.

Pyrido[1,2-a]pyrimidone analogs as PI3K inhibitors

The present invention discloses a class of pyrido[1,2-a]pyrimidone analogs as PI3K inhibitors, and particularly relates to a compound represented by a formula (I) or a pharmaceutically acceptable salt thereof. The formula (I) is defined in the specification.