1246610-72-9

Basic information

• Product Name: Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]-
• Synonyms: Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]-;Alogliptin-1-oxo-1-de(piperidin-3-amine)
• CAS NO: 1246610-72-9
• Molecular Formula: C₁₃H₁₁N₃O₃
• Molecular Weight: 257.24474
• Mol File: 1246610-72-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 423.3±47.0 °C(Predicted)
• Appearance: /
• Density: 1.39±0.1 g/cm3(Predicted)
• PKA: 6.01±0.40(Predicted)
• CAS DataBase Reference: Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]-(1246610-72-9)
• EPA Substance Registry System: Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]-(1246610-72-9)

Safety Data

• Hazardous Substances Data: 1246610-72-9(Hazardous Substances Data)

Usage

Description

Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]is a chemical compound with a unique structure that features a benzene ring, a nitrile group, and a tetrahydro-3-methyl-2,4,6-trioxopyrimidinylmethyl moiety. This complex structure endows it with a range of potential applications in various fields.

Uses

Used in Pharmaceutical Industry:
Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]is used as an impurity in the synthesis of Alogliptin, an oral antihyperglycemic agent. Alogliptin is a selective inhibitor of the enzyme dipeptidyl peptidase-4 (DPP-4), which plays a crucial role in the regulation of blood glucose levels. By inhibiting DPP-4, Alogliptin helps to increase the levels of incretin hormones, which in turn stimulates the release of insulin and decreases the production of glucose in the liver, ultimately leading to better blood sugar control.
Used in Medicinal Chemistry Research:
Due to its unique structure, Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]can be used as a starting material or intermediate in the development of new pharmaceutical compounds. Its ability to form various chemical bonds and its potential to interact with biological targets make it a valuable tool for medicinal chemists in the design and synthesis of novel therapeutic agents.
Used in Chemical Synthesis:
Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]can also be employed in various chemical synthesis processes, such as the preparation of other organic compounds, polymers, or materials with specific properties. Its versatility in forming different types of chemical bonds and its compatibility with a wide range of reagents make it a useful building block in the synthesis of complex organic molecules.

Upstream product

• 1246610-71-8 1-(2-cyanobenzyl)-3-methylurea 
• 105-53-3 diethyl malonate 
• 141-82-2 malonic acid 

Downstream Products

• 865758-96-9 2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile 
• 1246610-73-0 C₁₃H₁₂ClN₃O₂ 

Relevant articles and documents

Method for preparing alogliptin midbody

The invention discloses a method for preparing an alogliptin midbody. The method comprises the following steps: carrying out contact reaction on 1-(2-isocyan benzyl)-3-methylurea and diethyl malonate in acetonitrile in the presence of a compound shown in a formula I and cesium carbonate; pouring the product into water after the reaction is ended; carrying out filtration and filtering out the solid for washing, and recrystallizing the product with ethanol to obtain the alogliptin midbody 1-(2-isocyan benzyl)-3-methyl pyrimidine-2,4,6(1H,3H,5H)-trione shown in the specification. By the method for preparing the alogliptin midbody, the yield is high; and the reaction time is greatly shortened.