879487-10-2

Basic information

• Product Name: 1H-Pyrazole, 1-(1-Methylethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
• Synonyms: 1H-Pyrazole, 1-(1-Methylethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-;1-(1-Methylethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-isopropyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-(propan-2-yl)-4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-Isopropylpyrazole-4-boronic acid,pinacol ester;1-isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• CAS NO: 879487-10-2
• Molecular Formula: C₁₂H₂₁BN₂O₂
• Molecular Weight: 236.11834
• Mol File: 879487-10-2.mol

Chemical Properties

• Melting Point: 36-44°C
• Boiling Point: 327.26°C at 760 mmHg
• Flash Point: >110℃
• Appearance: /
• Density: 1.037g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.503
• Storage Temp.: 2-8°C
• Solubility: soluble in Methanol
• PKA: 2.13±0.10(Predicted)
• CAS DataBase Reference: 1H-Pyrazole, 1-(1-Methylethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole, 1-(1-Methylethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-(879487-10-2)
• EPA Substance Registry System: 1H-Pyrazole, 1-(1-Methylethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-(879487-10-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• Hazardous Substances Data: 879487-10-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1H-Pyrazole, 1-(1-Methylethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)is used as a reactant for the synthesis of Imidazo[1,2-a]pyrazine based phosphodiesterase 10A inhibitors. These inhibitors are important in the development of drugs targeting neurological disorders, such as schizophrenia and depression, due to their ability to modulate the activity of phosphodiesterase 10A, an enzyme implicated in these conditions.
Additionally, 1H-Pyrazole, 1-(1-Methylethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)is used as a reactant for the synthesis of Pyrido[3,4-d]pyrimidin-4-(3H)-one based KDM4 and KDM5 (histone lysine demethylase families) inhibitors. These inhibitors play a crucial role in the regulation of gene expression and have potential applications in the treatment of various diseases, including cancer, by targeting the epigenetic modifications of histone proteins.

InChI:InChI=1/C12H21BN2O2/c1-9(2)15-8-10(7-14-15)13-16-11(3,4)12(5,6)17-13/h7-9H,1-6H3

Upstream product

• 269410-08-4 pyrazole-4-boronic acid pinacol ester 
• 313735-62-5 4-bromo-1-(propan-2-yl)-1H-pyrazole 
• 73183-34-3 bis(pinacol)diborane 
• 75-26-3 isopropyl bromide 
• 75-30-9 2-iodo-propane 

Downstream Products

• 1607838-32-3 1-isopropyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-pyrazole 
• 1590409-32-7 C₂₀H₁₈F₃N₅O₂ 
• 1578244-53-7 8-(1-isopropyl-1H-pyrazol-4-yl)-N-(2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)pyrido[3,4-d]pyrimidin-2-amine 
• 1403396-86-0 8-({[tert-butyl(dimethyl)silyl]oxy}methyl)-3-{1-[4-(1-isopropyl-1H-pyrazol-4-yl)phenyl]cyclopropyl}-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepine 
• 1367875-13-5 3-(1-isopropyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoro-1-methyl-ethoxy)-1-trityl-1H-pyrazolo[4,3-c]pyridine 
• 1367875-11-3 4-chloro-3-(1-isopropyl-1H-pyrazol-4-yl)-1-trityl-1H-pyrazolo-[4,3-c]pyridine 
• 1347759-49-2 C₃₇H₃₄F₃N₅O₂ 
• 1346245-07-5 C₂₂H₂₃N₅O₂ 
• 1346243-04-6 C₂₆H₃₁N₅O₄ 

Relevant articles and documents

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