66522-06-3

Basic information

• Product Name: 4-TERT-BUTYL-2-CHLOROPYRIMIDINE
• Synonyms: 4-TERT-BUTYL-2-CHLOROPYRIMIDINE
• CAS NO: 66522-06-3
• Molecular Formula: C₈H₁₁ClN₂
• Molecular Weight: 170.63934
• Mol File: 66522-06-3.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 70-75 °C(Press: 0.1 Torr)
• Appearance: /
• Density: 1.104±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• PKA: -0.88±0.20(Predicted)
• CAS DataBase Reference: 4-TERT-BUTYL-2-CHLOROPYRIMIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-TERT-BUTYL-2-CHLOROPYRIMIDINE(66522-06-3)
• EPA Substance Registry System: 4-TERT-BUTYL-2-CHLOROPYRIMIDINE(66522-06-3)

Safety Data

• Hazardous Substances Data: 66522-06-3(Hazardous Substances Data)

Usage

Description

4-TERT-BUTYL-2-CHLOROPYRIMIDINE is an organic compound that belongs to the class of pyrimidine derivatives, which are heterocyclic compounds containing a ring structure with two nitrogen atoms. It is specifically classified as a chloropyrimidine, meaning it contains both a chlorine atom and a pyrimidine ring. 4-TERT-BUTYL-2-CHLOROPYRIMIDINE also features a tert-butyl group, which is a branched alkyl group consisting of four carbon atoms.

Uses

Used in Organic Synthesis:
4-TERT-BUTYL-2-CHLOROPYRIMIDINE is used as a building block in organic synthesis for the creation of more complex molecules. Its unique structure allows for the formation of various chemical bonds and reactions, making it a versatile component in the synthesis of a wide range of compounds.
Used in Chemical Research:
4-TERT-BUTYL-2-CHLOROPYRIMIDINE is utilized in chemical research to study the properties and behavior of pyrimidine derivatives and chloropyrimidines. Its presence in various chemical reactions can provide insights into the reactivity and stability of similar compounds, contributing to the advancement of chemical knowledge.
Used in Pharmaceutical Industry:
4-TERT-BUTYL-2-CHLOROPYRIMIDINE may have applications in the pharmaceutical industry as a precursor or intermediate in the synthesis of pharmaceutical compounds. Its unique structure and reactivity can be harnessed to develop new drugs or improve the synthesis of existing ones.
Used in Agricultural Industry:
4-TERT-BUTYL-2-CHLOROPYRIMIDINE may also find use in the agricultural industry, potentially as a component in the development of agrochemicals or as a building block for the synthesis of compounds with pesticidal or herbicidal properties.
Used in Industrial Processes:
4-TERT-BUTYL-2-CHLOROPYRIMIDINE may be employed in various industrial processes, where its unique structure and reactivity can be utilized for the synthesis of specialty chemicals, materials, or other products that require specific properties or functions.

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Relevant articles and documents

Correlating cobalt redox couples to photovoltage in the dye-sensitized solar cell

We report a series of structurally analogous cobalt mediators related to [Co-bpy]Z (bpy = 2,2′-bipyrimidine, Z = 2+ or 3+) to demonstrate a linear relationship between the redox potential of the Co(iii/ii)-based redox couple (Emed) and open-circuit voltage (VOC) of the DSSC. The Emed values vary from 0.42 to 1.07 V vs. NHE depending on the number of nitrogen atoms and the presence of tert-butyl substituents on the ligand. A 64-mV gain in photovoltage was calculated for every +100 mV shift in Emed. Differences in the mediator sizes, diffusion coefficients, light absorption profiles, and spin state configurations for the complexes were not significant and therefore not expected to contribute to changes in the VOC. A decrease in the photocurrent, downward shift in quasi-Fermi level (EF,n) and shorter electron lifetime (Tn) with increasingly positive Emed were instead attributed to enhanced electron recombination from the TiO2 film to oxidized mediator species in the electrolyte.

Functional Pyrimidinyl Pyrazolate Pt(II) Complexes: Role of Nitrogen Atom in Tuning the Solid-State Stacking and Photophysics

Pt(II) metal complexes are known to exhibit strong solid-state aggregation and are promising for realization of efficient emission in fabrication of organic light emitting diodes (OLED) with nondoped emitter layer. Four pyrimidine–pyrazolate based chelates, together with four isomeric Pt(II) metal complexes, namely: [Pt(pm2z)2], [Pt(tpm2z)2], [Pt(pm4z)2], and [Pt(tpm4z)2], are isolated and systematically investigated for their structure–property relationships for practical OLED applications. Detailed single molecular and aggregated structures are revealed by photophysical and mechanochromic measurements, grazing-incidence X-ray diffraction, and theoretical approaches. These results suggest that these Pt(II) emitters pack like a deck of playing cards under vacuum deposition, and their emission energy is not only affected by the single molecular designs, but notably influenced by their intermolecular packing interaction, i.e., Pt···Pt separations that are arranged in the order: [Pt(tpm4z)2] > [Pt(pm4z)2] > [Pt(tpm2z)2] > [Pt(pm2z)2]. Nondoped OLED with emission ranging from green to red are prepared, to which the best performances are recorded for [Pt(tpm2z)2], giving maximum external quantum efficiency (EQE) of 27.5% at 103 cd m?2, maximum luminance of 2.5 × 105 cd m?2 at 17 V, and with stable CIEx,y of (0.56, 0.44).

Silver catalysed decarboxylative alkylation and acylation of pyrimidines in aqueous media

Decarboxylative alkylation or acylation reactions of simple pyrimidines have been developed in aqueous media. Using aliphatic carboxylic acids or 2-oxocarboxylic acids and pyrimidines as substrates and silver as the catalyst, the 4-substituted alkyl or ac