1093193-29-3

Basic information

• Product Name: 1-Boc-4-ethynyl-1H-pyrazole
• Synonyms: 1-Boc-4-ethynyl-1H-pyrazole;tert-butyl 4-ethynyl-1H-pyrazole-1-carboxylate;1H-Pyrazole-1-carboxylic acid, 4-ethynyl-, 1,1-dimethylethyl ester
• CAS NO: 1093193-29-3
• Molecular Formula: C₁₀H₁₂N₂O₂
• Molecular Weight: 192.21448
• Mol File: 1093193-29-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 278.9±32.0 °C(Predicted)
• Appearance: /
• Density: 1.03±0.1 g/cm3(Predicted)
• PKA: -2.70±0.12(Predicted)
• CAS DataBase Reference: 1-Boc-4-ethynyl-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Boc-4-ethynyl-1H-pyrazole(1093193-29-3)
• EPA Substance Registry System: 1-Boc-4-ethynyl-1H-pyrazole(1093193-29-3)

Safety Data

• Hazardous Substances Data: 1093193-29-3(Hazardous Substances Data)

Usage

General Description

1-Boc-4-ethynyl-1H-pyrazole is a chemical compound that belongs to the pyrazole class of organic compounds. It is a derivative of pyrazole that contains a 1-boc protected ethynyl group. It is commonly used as a building block in the synthesis of pharmaceuticals and other organic compounds. The 1-boc group, also known as tert-butoxycarbonyl group, is a common protecting group used in organic synthesis to protect amines from unwanted reactions, and in this compound, it is attached to the ethynyl group. The ethynyl group, also known as the acetylene group, is a functional group consisting of two carbon atoms covalently bonded to each other with a triple bond. 1-Boc-4-ethynyl-1H-pyrazole has potential applications in medicinal chemistry and drug development due to its structural properties and versatility in organic synthesis.

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 1093193-28-2 tert-butyl 4-((trimethylsilyl)ethynyl)-1H-pyrazole-1-carboxylate 
• 121669-70-3 4-iodo-1H-pyrazole-1-carboxylic acid tert-butyl ester 

Downstream Products

• 1316228-61-1 1-benzyl-4-(1H-pyrazol-4-yl)-1H-1,2,3-triazole 
• 1316228-38-2 C₁₇H₁₉N₅O₂ 
• 1400286-19-2 N-(4-methoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine 
• 1400286-28-3 4-(2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-N,N-dimethylbenzenesulfonamide 
• 1400286-35-2 N-(4-((1H-pyrazol-1-yl)methyl)phenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine 
• 1400286-37-4 N-(4-(2-morpholinoethoxy)phenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine 
• 1400286-20-5 N-(2-methoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine 
• 1400286-26-1 N-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine 
• 1400286-92-1 tert-butyl-2-(1-(tert-butoxycarbonyl)-1H-pyrazol-4-yl)-6-(3,4-dimethoxyphenylamino)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate 
• 1400286-23-8 N-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]-pyridin-6-amine 
• 1400286-96-5 tert-butyl 2-(1-(tert-butoxycarbonyl)-1H-pyrazol-4-yl)-6-(4-(N,N-dimethylsulfamoyl)phenylamino)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate 
• 1400286-24-9 N-(2-chloro-4-methoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine 
• 1400286-85-2 tert-butyl 6-(4-((1H-pyrazol-1-yl)methyl)phenylamino)-2-(1-(tert-butoxycarbonyl)-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate 
• 1400286-87-4 tert-butyl 2-(1-(tert-butoxycarbonyl)-1H-pyrazol-4-yl)-6-(4-(2-morpholinoethoxy)phenylamino)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate 

Relevant articles and documents

Alkynyl-rich compound, preparation method thereof and metal organic framework material

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The one-pot, three-component Sonogashira coupling-TMS-deprotection-CuAAC ("click") sequence is the key reaction for the rapid synthesis of triazolyl substituted N-Boc protected NH-heterocycles, such as indole, indazole, 4-, 5-, 6-, and 7-azaindoles, 4,7-diazaindole, 7-deazapurines, pyrrole, pyrazole, and imidazole. Subsequently, the protective group was readily removed to give the corresponding triazolyl derivatives of these tremendously important NH-heterocycles. All compounds have been tested in a broad panel of kinase assays. Several compounds, 8f, 8h, 8k, and 8l, have been shown to inhibit the kinase PDK1, a target with high oncology relevance, and thus they are promising lead structures for the development of more active derivatives. The X-ray structure analysis of compound 8f in complex with PDK1 has revealed the detailed binding mode of the molecule in the kinase. The Royal Society of Chemistry 2011.