865759-24-6

Basic information

• Product Name: 2-((6-chloro-3-Methyl-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)Methyl)-4-fluorobenzonitrile
• Synonyms: 2-((6-chloro-3,4-dihydro-3-Methyl-2,4-dioxopyriMidin-1(2H)-yl)Methyl)-4-fluorobenzonitrile;2-[(6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-4-fluorobenzonitrile;2-((6-chloro-3-Methyl-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)Methyl)-4-fluorobenzonitrile;Benzonitrile, 2-[(6-chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2H)-pyriMidinyl)Methyl]-4-fluoro-;2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2H)-pyriMidinyl)Methyl]-4-fluorobenzonitrile
• CAS NO: 865759-24-6
• Molecular Formula: C₁₃H₉ClFN₃O₂
• Molecular Weight: 293.6808632
• Product Categories: Trelagliptin
• Mol File: 865759-24-6.mol

Chemical Properties

• Boiling Point: 417.7±55.0 °C(Predicted)
• Appearance: /
• Density: 1.49±0.1 g/cm3(Predicted)
• PKA: -3.66±0.40(Predicted)
• CAS DataBase Reference: 2-((6-chloro-3-Methyl-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)Methyl)-4-fluorobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-((6-chloro-3-Methyl-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)Methyl)-4-fluorobenzonitrile(865759-24-6)
• EPA Substance Registry System: 2-((6-chloro-3-Methyl-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)Methyl)-4-fluorobenzonitrile(865759-24-6)

Safety Data

• Hazardous Substances Data: 865759-24-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-((6-chloro-3-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)Methyl)-4-fluorobenzonitrile is used as a potential candidate for drug development due to its unique molecular structure, which could be harnessed to create new therapeutic agents or treatments for various medical conditions.
Used in Organic Chemistry Research:
In the field of organic chemistry, 2-((6-chloro-3-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)Methyl)-4-fluorobenzonitrile is used for studying its complex molecular structure and exploring its chemical properties, which may contribute to advancements in synthetic chemistry and the discovery of novel compounds.
Further research and testing are required to fully understand the properties and potential uses of this compound, as its applications are currently speculative and based on its distinctive structural features.

Upstream product

• 4318-56-3 3-methyl-6-chlorouracil 
• 421552-12-7 2-(bromomethyl)-4-fluorobenzonitrile 
• 2565-47-1 1-methyl-2,4,6-pyrimidinetrione 
• 1261742-22-6 2-(chloromethyl)-4-fluorobenzonitrile 
• 1000339-93-4 2-hydroxymethyl-4-fluorobenzonitrile 
• 147754-12-9 4-fluoro-2-methylbenzonitrile 
• 452-63-1 2-Bromo-5-fluorotoluene 

Downstream Products

• 1262205-80-0 (R)-2-((6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-4-fluorobenzonitrile trifluoroacetate 
• 928201-45-0 Trelagliptin trifluoroacetate 
• 928201-46-1 Trelagliptin hydrochloride 
• 1917324-13-0 (R)-2-({6-[3-({3-[(2-cyano-5-fluorophenyl)methyl]-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}amino)piperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1-yl}methyl)-4-fluorobenzonitrile 

Relevant articles and documents

Identification, characterization and HPLC quantification of process-related impurities in Trelagliptin succinate bulk drug: Six identified as new compounds

A sensitive, selective and stability indicating reversed-phase LC method was developed for the determination of process related impurities of Trelagliptin succinate in bulk drug. Six impurities were identified by LC-MS. Further, their structures were char

Preparation method and application of DPP-IV inhibitor key intermediate

The invention provides a preparation method and application of a DPP-IV inhibitor key intermediate, and belongs to the technical field of organic synthesis and compound preparation. According to the preparation method, 1-methyltripyrimidone is taken as a raw material and reacts with 2-cyano-5-fluorobenzyl bromide in a proper solvent under the catalysis of alkali, so that the key intermediate 2-(6-chloro-3-methyl-2, 4-dioxo-3, 4-dihydro-2H-pyrimidine-1-yl methyl)-4-fluorobenzonitrile of the DPP-IV inhibitor trelagliptin is prepared, and the preparation method is simple and easy to implement. And the intermediate is subjected to a chlorination reaction, such that the target product 2-(6-chloro-3-methyl-2, 4-dioxo-3, 4-dihydro-2H-pyrimidine-1-yl methyl)-4-fluorobenzonitrile is prepared. The trelagliptin free alkali prepared from the intermediate is high in purity, can meet the requirement that the single impurity content is 0.1% or below, can be salified without refining to prepare trelagliptin succinate, and has good practical application value.

Synthesis process of trelagliptin succinate

The present invention discloses a trelagliptin succinate synthesis process, and relates to the technical field of pharmaceutical chemical synthesis. In the process, 2-cyano-5-fluorobenzyl bromide and 6-chloro-3-methyl uracil are adopted as starting raw ma

Trelagliptin succinate bulk drug synthesis process

The invention discloses a trelagliptin succinate bulk drug synthesis process, and relates to the field of pharmacy. The synthesis process comprises the steps: (1) reacting SM1, SM2, an acid-binding agent and a solvent at the temperature of 25-100 DEG C to

Refining method of trelagliptin succinate

The invention discloses a refining method of trelagliptin succinate, which is characterized in that a trelagliptin succinate crude product (the purity is 99.76%) is used as an initial raw material, anorganic solvent is added into the trelagliptin succinat

Novel preparation process of trelagliptin succinate

The invention discloses a novel preparation process of trelagliptin succinate. According to the method, 3-methyl-6-chlorouracil is taken as a starting raw material, toluene, DMF or NMP is taken as a solvent to react with 2-cyano-5-fluorobenzyl bromide und

Preparation method of trelagliptin succinate

The invention provides an improved preparation method of trelagliptin succinate. The method comprises the following steps: by using 6-chloro-3-methyluracil and 2-cyano-5-fluorobenzyl bromide as initial raw materials, carrying out substitution reaction twi

A curved geleg sandbank preparation method

The invention claims a curved geleg sandbank preparation method, using methyl urea and malonic acid diethyl ester as an initial raw material for preparing 3 - methyl - 6 - chloro uracil, while at the same time by the 2 - hydroxymethyl - 4 - pentachloro as initial material to prepare 2 - chloromethyl - 4 - pentachloro, then the 3 - methyl - 6 - chloro uracil with 2 - chloromethyl - 4 - pentachloro prepared tune geleg sandbank, the material cost is low, the preparation process is easy to control, convenient for industrial production.

Method for purifying compound

The invention discloses a method for purifying 2-[(6-chlorine-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl) methyl]-4-fluorobenzonitrile which is a compound I. The method includes carrying out reaction on 6-chlorine-3-methyluracil and 2-cyano-5-fluoro

Purification method of compound

The invention discloses a purification method of 2-[[6-[(3R)-3-amino-1-piperidyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-4-fluoro-benzonitrile, namely a compound 1. A reaction is carried out by taking 2-[(6-chloro-3,4-dihydro-3-methyl-2,