1378865-93-0

Basic information

• Product Name: 4-Methyl-2-(1,1,1-trifluoro-2-Methylpropan-2-yl)pyridine
• Synonyms: 4-Methyl-2-(1,1,1-trifluoro-2-Methylpropan-2-yl)pyridine;4-Methyl-2-(1,1,1-trifluoro-2-methyl-2-propanyl)pyridine
• CAS NO: 1378865-93-0
• Molecular Formula: C₁₀H₁₂F₃N
• Molecular Weight: 203.2041896
• Mol File: 1378865-93-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 190.2±40.0 °C(Predicted)
• Appearance: /
• Density: 1.116±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.78±0.20(Predicted)
• CAS DataBase Reference: 4-Methyl-2-(1,1,1-trifluoro-2-Methylpropan-2-yl)pyridine(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Methyl-2-(1,1,1-trifluoro-2-Methylpropan-2-yl)pyridine(1378865-93-0)
• EPA Substance Registry System: 4-Methyl-2-(1,1,1-trifluoro-2-Methylpropan-2-yl)pyridine(1378865-93-0)

Safety Data

• Hazardous Substances Data: 1378865-93-0(Hazardous Substances Data)

Usage

General Description

4-methyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine is a chemical compound with the molecular formula C11H14F3N. It is a pyridine derivative with a trifluoromethyl group and a 2-methylpropyl group attached to the pyridine ring. 4-methyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine is commonly used as a building block in organic synthesis and pharmaceutical research. It is known for its potential applications in the development of new drugs and agrochemicals. Additionally, it is used as a reagent in various chemical reactions, including the synthesis of complex organic molecules. Its unique structural features make it a valuable tool in the field of medicinal chemistry and chemical synthesis.

Upstream product

• 1396893-46-1 C₁₀H₁₂NO₂^(1-)*Na⁽¹⁺⁾ 
• 1396893-45-0 C₁₂H₁₇NO₂ 
• 1396893-43-8 1,1,1-trifluoro-2-(4-methylpyridin-2-yl)propan-2-ol 
• 1396893-42-7 4-methyl-2-(2,2,2-trifluoro-1-methyl-1-trimethylsilanyloxy-ethyl)pyridine 
• 1396893-44-9 1,1,1-trifluoro-2-(4-methylpyridin-2-yl)propan-2-yl methanesulfonate 
• 75-24-1 trimethylaluminum 
• 59576-26-0 2-acetyl-4-methylpyridine 
• 108-47-4 2,4-lutidine 

Downstream Products

• 1217486-61-7 alpelisib 
• 1396893-41-6 C₂₀H₁₈F₃N₃O₂S 

Relevant articles and documents

Design, synthesis, antitumor activity and theoretical calculation of novel PI3Ka inhibitors

PI3Kα has been identified as an ideal target to treat with PIK3CA gene mutation disease, including drugs such as Alpelisib and Copanlisib. Five purine analogues and four thiazole analogues were designed and synthesized. Their enzymatic activity against PI3Ka/β/γ/δ were tested, respectively. All compounds showed excellent selectivity in modulating PI3Ka activity, and parts of the compounds showed good inhibition. Meanwhile, we used Autodock 4.2 to explore the binding mode of the most potential compound Tg with the target protein. In addition, DFT was used to calculate the HOMO-LUMO maps of the compounds Tf, Tg and positive control. This paper will provide some useful information for further drug design of PI3Kα inhibitors.

SYNTHESIS OF 2-CARBOXAMIDE CYCLOAMINO UREA DERIVATIVES

Provided herein are processes and intermediate compounds useful for the preparation of 2-carboxamide cycloamino urea derivatives of formula (X), and useful intermediates therefore.