859850-98-9

Basic information

• Product Name: 1-METHYL-5-PHENYL-1H-PYRAZOLE-3-CARBONYL CHLORIDE
• Synonyms: 1-METHYL-5-PHENYL-1H-PYRAZOLE-3-CARBONYL CHLORIDE;1-Methyl-5-phenyl-1H-pyrazole-3-carbonyl chloride 95%;1-Methyl-5-phenyl-1H-pyrazole-3-carbonylchloride95%
• CAS NO: 859850-98-9
• Molecular Formula: C₁₁H₉ClN₂O
• Molecular Weight: 220.65
• Mol File: 859850-98-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 80-81,5°C
• Boiling Point: 366.9 °C at 760 mmHg
• Flash Point: 175.7 °C
• Appearance: /
• Density: 1.26 g/cm³
• Vapor Pressure: 1.42E-05mmHg at 25°C
• Refractive Index: 1.611
• CAS DataBase Reference: 1-METHYL-5-PHENYL-1H-PYRAZOLE-3-CARBONYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-METHYL-5-PHENYL-1H-PYRAZOLE-3-CARBONYL CHLORIDE(859850-98-9)
• EPA Substance Registry System: 1-METHYL-5-PHENYL-1H-PYRAZOLE-3-CARBONYL CHLORIDE(859850-98-9)

Safety Data

• Hazard Codes: C
• Statements: 14-29-34
• Safety Statements: 8-22-26-30-36/37/39-45
• RIDADR: 3261
• Hazardous Substances Data: 859850-98-9(Hazardous Substances Data)

Usage

General Description

'1-Methyl-5-phenyl-1H-pyrazole-3-carbonyl chloride' is a chemical compound that belongs to the group of carbonyl chlorides. It is a derivative of pyrazole and contains a carbonyl chloride functional group. 1-METHYL-5-PHENYL-1H-PYRAZOLE-3-CARBONYL CHLORIDE is often used in organic synthesis and is commonly employed as an intermediate in various chemical reactions. It plays a crucial role in the production of pharmaceuticals, agrochemicals, and other specialty chemicals. Its reactivity and ability to undergo substitution reactions make it a valuable building block for the synthesis of complex organic compounds. Additionally, it is important to handle this compound with caution, as it is a highly reactive and corrosive material that should be handled by trained professionals in a controlled laboratory environment.

InChI:InChI=1/C11H9ClN2O/c1-14-10(7-9(13-14)11(12)15)8-5-3-2-4-6-8/h2-7H,1H3

Upstream product

• 10250-65-4 methyl 1-methyl-5-phenyl-1H-pyrazole-3-carboxylate 
• 10199-53-8 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid 
• 10199-51-6 1-methyl-5-phenyl-1H-prazole-3-carboxylic acid ethyl ester 

Relevant articles and documents

Design and Evaluation of Bispidine-Based SARS-CoV-2 Main Protease Inhibitors

For the first time, derivatives of 3,7-diazabicyclo[3.3.1]nonane (bispidine) were proposed as potential inhibitors of the SARS-CoV-2 main viral protease (3-chymotrypsin-like, 3CLpro). Based on the created pharmacophore model of the active site of the protease, a group of compounds were modeled and tested for activity against 3CLpro. The 3CLpro activity was measured using the fluorogenic substrate Dabcyl-VNSTLQSGLRK(FAM)MA; the efficiency of the proposed approach was confirmed by comparison with literature data for ebselen and disulfiram. The results of the experiments performed with bispidine compounds showed that 14 compounds exhibited activity in the concentration range 1-10 μM, and 3 samples exhibited submicromolar activity. The structure-activity relationship studies showed that the molecules containing a carbonyl group in the ninth position of the bicycle exhibited the maximum activity. Based on the experimental and theoretical results obtained, further directions for the development of this topic were proposed.