220769-83-5

Basic information

• Product Name: 2-Pyrimidinecarbonyl chloride (9CI)
• Synonyms: 2-Pyrimidinecarbonyl chloride (9CI);2-Pyrimidinecarbonyl chloride
• CAS NO: 220769-83-5
• Molecular Formula: C₅H₃ClN₂O
• Molecular Weight: 142.54312
• Product Categories: PYRIMIDINE
• Mol File: 220769-83-5.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 289.4±23.0 °C(Predicted)
• Appearance: /
• Density: 1.393±0.06 g/cm3(Predicted)
• PKA: -2.29±0.13(Predicted)
• CAS DataBase Reference: 2-Pyrimidinecarbonyl chloride (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Pyrimidinecarbonyl chloride (9CI)(220769-83-5)
• EPA Substance Registry System: 2-Pyrimidinecarbonyl chloride (9CI)(220769-83-5)

Safety Data

• Hazardous Substances Data: 220769-83-5(Hazardous Substances Data)

Usage

Description

2-Pyrimidinecarbonyl chloride (9CI), with the CAS number 220769-83-5, is an organic compound that serves as a key intermediate in the synthesis of various chemical compounds and pharmaceuticals. It is characterized by its reactivity and ability to form different chemical bonds, making it a versatile building block in the development of new molecules with potential applications in various fields.

Uses

Used in Pharmaceutical Industry:
2-Pyrimidinecarbonyl chloride (9CI) is used as a synthetic intermediate for the preparation of substituted tetrazines. These tetrazines are crucial in the cycloaddition reactions with bicyclenonyne and norbornenecarboxaldehyde derivatives, which are essential in the development of novel pharmaceutical compounds.
Used in Enzyme Modulation:
In the field of biochemistry, 2-Pyrimidinecarbonyl chloride (9CI) is utilized for the modulation of 11β-hydroxysteroid dehydrogenase type 1 activity. This is achieved through the synthesis of 1,5-substituted 1H-tetrazoles, which can help regulate the enzyme's function and potentially contribute to the treatment of related health conditions.
Used in Kinase Inhibition:
2-Pyrimidinecarbonyl chloride (9CI) is also employed in the preparation of piperazine amides, which serve as novel c-jun N-terminal kinase (JNK) inhibitors. These inhibitors play a significant role in the regulation of cellular signaling pathways, and their development can lead to the creation of new therapeutic strategies for various diseases.
Used in Cancer Research:
Furthermore, 2-Pyrimidinecarbonyl chloride (9CI) is used in the synthesis of 2-pyrazolin-5-ones, which are known to inhibit serine/threonine and tyrosine kinase activity. These inhibitors can be valuable in cancer research, as they may help in the development of targeted therapies for cancer treatment by disrupting specific signaling pathways involved in tumor growth and progression.

Upstream product

• 31519-62-7 pyrimidine-2-carboxylic acid 

Downstream Products

• 944909-67-5 pyrimidine-2-carboxylic acid (4-chloro-2-methyl-phenyl)-amide 
• 944910-01-4 pyrimidine-2-carboxylic acid (2-bromomethyl-4-chloro-phenyl)-amide 
• 861905-57-9 (4-bromo-2-fluorophenyl)(2-pyrimidinyl)methanone 
• 1173834-47-3 C₁₈H₂₀ClN₅O 
• 1334527-55-7 C₂₀H₂₁FN₆O 
• 1334527-56-8 1-(1-(2-fluorobenzyl)-3-(pyrimidin-2-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone 
• 1334527-57-9 C₂₃H₁₉FN₆O 
• 1334527-58-0 C₂₃H₁₉FN₆O 
• 1334527-59-1 C₂₃H₁₉FN₆O 
• 1334527-60-4 C₂₅H₂₂FN₅O₂ 
• 1334527-61-5 C₂₅H₂₂FN₅O₂ 
• 1334527-62-6 C₂₅H₂₂FN₅O 
• 1374249-79-2 C₂₄H₁₈N₄O₄ 
• 1233247-27-2 2-[1-[4-(pyrimidine-2-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid 

Relevant articles and documents

Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)3]2+complexes: what for and who cares about it?

The [FeN6] chromophores found in [Fe(didentate)3]2+complexes, where didentate is a non-symmetrical 2-(6-membered-heterocyclic ring)-benzimidazole ligand (Lk), exist as mixtures of two geometricalmer(C1-symmetry) andfac(C3-symmetry) isomers. Specific alkyl-substituted six-membered heterocyclic rings connected to the benzimidazole unit (pyridines in ligandsL1-L3, pyrazines inL4-L5and pyrimidines inL6-L7) control the ligand field strength and the electron delocalization so that [FeII(Lk)3]2+display tunable thermally-induced spin transitions in solution. Thermodynamic, spectroscopic (UV-Vis, NMR) and magnetic studies in solution demonstrate that [Fe(L6)3]2+(L6= 1-methyl-2-(pyrimidin-2-yl)-1H-benzo[d]imidazole) exhibits a close to room temperature spin transition (T1/2= 273(3) K) combined with a high stability formation constant n acetonitrile), which makes this complex suitable for the potential modulation of lanthanide-based luminescence in polymetallic helicates. A novel method is proposed for assigning specific thermodynamic spin crossover parameters tofac-[Fe(L6)3]2+andmer-[Fe(L6)3]2+isomers in solution. The observed difference relies mainly on the entropic content ΔSmerSCO? ΔSfacSCO= 11(1) J mol?1K?1, which favors the spin transition for the meridional isomer. Intermolecular interactions occurring in the crystalline state largely overcome minor thermodynamic trends operating in diluted solutions and a single configurational isomer is usually observed in the solid state. Among the thirteen solved crystal structures1-13containing the [M(Lk)3]2+cations (M = Fe, Ni, Zn,Lk=L6-L7), pure meridional isomers are observed six times, pure facial isomers also six times and a mixture (44%merand 56%fac) is detected only once. Solid-state magnetic data recorded for the FeIIcomplexes show the operation of slightly cooperative spin transitions in7(fac-[Fe(L6)3]2+) and12(mer-[Fe(L7)3]2+). For the meridional isomer in6, a two-step spin state transition curve, associated with two phase transitions, is detected.

SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME

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