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1693-94-3

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1693-94-3 Usage

General Description

2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, also known as 2-Methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrimidine, is a chemical compound with a pyrido[1,2-a]pyrimidin-4-one structure. It is a heterocyclic compound and an analogue of pyrido[2,3-d]pyrimidin-4-one. It is a white solid with a molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. 2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one has potential pharmacological and medicinal applications due to its unique structure and properties, and it is used as a building block in the synthesis of various pharmaceuticals. Additionally, it exhibits biological activities such as antiviral and antiproliferative properties, which make it an important compound in medicinal chemistry research.

Check Digit Verification of cas no

The CAS Registry Mumber 1693-94-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,6,9 and 3 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 1693-94:
(6*1)+(5*6)+(4*9)+(3*3)+(2*9)+(1*4)=103
103 % 10 = 3
So 1693-94-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H8N2O/c1-7-6-9(12)11-5-3-2-4-8(11)10-7/h2-6H,1H3

1693-94-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-methylpyrido[1,2-a]pyrimidin-4-one

1.2 Other means of identification

Product number -
Other names 2-Methyl-4-oxo-4H-pyrido<1,2-a>pyrimidine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1693-94-3 SDS

1693-94-3Downstream Products

1693-94-3Relevant articles and documents

A new synthetic route for the preparation of 2,2′,5′-trimethyl-7-oxo-4,7-dihydro-[6,7′-bipyrazolo[1,5-a]pyrimidine]-3,3′-dicarbonitrile, structural elucidation, Hirshfeld surface analysis, energy framework, density functional theory and molecular docking investigations

Albalwi, Hanan,Alharthi, Abdulrahman I.,Anouar, El Hassane,Boulhaoua, Mohammed,El Ghayati, Lhoussaine,El Hafi, Mohamed,Essassi, El Mokhtar,Lahmidi, Sanae,Lai, Chin-Hung,Mague, Joel T.

, (2022/03/15)

A new bipyrazolo [1,5-a]pyrimidine derivative, 2,2′,5′-trimethyl-7-oxo-4,7-dihydro-[6,7′-bipyrazolo[1,5-a]pyrimidine]-3,3′-dicarbonitrile dihydrate acetic acid solvate (3) has been synthesized via two different methods and characterized by single-crystal X-ray diffraction (XRD) and spectroscopic techniques. A plausible reaction mechanism in the synthesis of 3 through the two synthetic routes used has been proposed. The XRD analysis reveals that the two bicyclic moieties in 3 are close to perpendicular to one another. Some formal double bonds appear localized while others appear to involve some delocalization. In the crystal structure, a layer structure is formed by O-H-O, O-H-N and N-H-O hydrogen bonds, along with weak C-H-O and π-stacking interactions. The energy framework indicates that the packing of 3 is mainly determined by dispersion interactions between molecules. The frontier molecular orbital analysis shows that 3 may act more as a nucleophile than an electrophile. The analysis of the Hirshfeld surface maps and 2D fingerprint plots of 3 reveal that intermolecular hydrogen bonding and H-H, N-H and O-H contacts are the major ones between the units of 3. The antibacterial activity of 3 is explored by its molecular docking into the binding site of tyrosyl-tRNA synthetase, where it formed a stable complex with the amino acids of tyrosyl-tRNA synthetase mainly through hydrogen bonding.

Silver-catalyzed highly efficient synthesis of pyrido[1,2-a]pyrimidin-4-ones from 2-aminopyridines and alkynoates

Chen, Zhengwang,Wen, Yuelu,Ding, Hao,Luo, Guotian,Ye, Min,Liu, Liangxian,Xue, Jun

supporting information, p. 13 - 16 (2016/12/23)

Pyrimidinone is one of the important nitrogen containing heterocycles due to their wide range of bioactivities. An efficient silver-catalyzed intermolecular cyclization of 2-aminopyridines with various alkynoates has been developed. 2-Substituted 4H-pyrido[1,2-a]pyrimidin-4-ones containing a wide range of functional groups are synthesized in the standard conditions. This transformation is conducted under convenient conditions and affords products in good yields.

Simple and efficient protocol for synthesis of pyrido[1,2-a]pyrimidin-4-one derivatives over solid heteropolyacid catalysts

Basahel, Sulaiman N.,Ahmed, Nesreen S.,Narasimharao, Katabathini,Mokhtar, Mohamed

, p. 11921 - 11932 (2016/02/12)

Aluminium exchanged tungstophosphoric acid salts with Keggin structure (AlxH3-xPW12O40) were prepared by simple ion exchange method. The prepared heteropolyacid salts were characterized by various techniques suc

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