1201-68-9

Basic information

• Product Name: 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole
• Synonyms: TIMTEC-BB SBB005593;3-(CHLOROMETHYL)-5-PHENYL-1,2,4-OXADIAZOLE;BUTTPARK 37\08-30;3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole, tech;3-(CHLOROMETHYL)-5-PHENYL-1,2,4-OXADIAZOLE 98%;1,2,4-Oxadiazole, 3-(chloromethyl)-5-phenyl-
• CAS NO: 1201-68-9
• Molecular Formula: C₉H₇ClN₂O
• Molecular Weight: 194.62
• Mol File: 1201-68-9.mol
• Article Data: 8

Chemical Properties

• Melting Point: 64 °C
• Boiling Point: 316.9 ºC at 760 mmHg
• Flash Point: 145.5 ºC
• Appearance: /
• Density: 1.283 g/cm³
• Vapor Pressure: 0.000739mmHg at 25°C
• Refractive Index: 1.56
• CAS DataBase Reference: 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole(1201-68-9)
• EPA Substance Registry System: 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole(1201-68-9)

Safety Data

• Hazard Codes: C,Xn
• Statements: 36/37/38-34-22
• Safety Statements: 26-36/37/39-45
• Hazardous Substances Data: 1201-68-9(Hazardous Substances Data)

Usage

General Description

3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole is a chemical compound with the molecular formula C9H7ClN2O. It is a heterocyclic compound containing an oxadiazole ring, which consists of one oxygen and two nitrogen atoms. 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole is commonly used as a building block in the synthesis of various pharmaceuticals and agrochemicals. It has also shown potential for use as a fluorescence sensor for the detection of metal ions. Additionally, 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole has exhibited antimicrobial and antifungal activities, making it a valuable compound for research and development in the fields of medicine and agriculture.

InChI:InChI=1/C9H7ClN2O/c10-6-8-11-9(13-12-8)7-4-2-1-3-5-7/h1-5H,6H2

Upstream product

• 1403889-97-3 (E)-2-chloro-N'-hydroxy ethenimidamide 
• 98-88-4 benzoyl chloride 
• 255876-57-4 C₉H₉ClN₂O₂ 
• 3272-96-6 2-chloro-N'-hydroxyacetimidamide 
• 3272-96-6 2-chloro-N-hydroxyethanimidamide 
• 3272-96-6 (Z)-2-chloro-N'-hydroxyethanimidamide 

Downstream Products

• 73217-37-5 (5-phenyl-[1,2,4]oxadiazol-3-yl)-methanol 
• 1026132-14-8 3-(5-phenyl-[1,2,4]oxadiazol-3-ylmethoxy)-benzaldehyde 
• 1352565-21-9 (3R)-1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-3-(2-phenyl-2-(o-tolylamino)acetoxy)-1-azoniabicyclo[2.2.2]octane chloride 
• 1352565-20-8 (R)-3-(2-(3-(methylcarbamoyl)phenylamino)-2-phenylacetoxy)-1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1-azoniabicyclo[2.2.2]octane chloride 
• 1352565-19-5 (R)-1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-3-((R)-2-phenyl-2-(phenylamino)acetoxy)-1-azoniabicyclo[2.2.2]octane chloride 
• 1352565-27-5 (3R)-1-methyl-1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-3-(2-phenyl-2-(phenylamino)acetoxy)pyrrolidinium 2,2,2-trifluoroacetate 
• 1352565-23-1 (3R)-1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-3-(2-(phenylamino)-2-(thiophen-2-yl)acetoxy)-1-azoniabicyclo[2.2.2]octane 2,2,2-trifluoroacetate 
• 1352565-25-3 (3R)-3-(2-(2-(methoxycarbonyl)thiophen-3-ylamino)-2-(6-methoxypyridin-3-yl)acetoxy)-1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1-azoniabicyclo[2.2.2]octane 2,2,2-trifluoroacetate 
• 1259765-80-4 Triethyl 2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,1,1-tricarboxylate 
• 1447767-23-8 dimethyl (2RS,4SR)-9-oxo-7-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-2,4-di(pyridin-2-yl)-3-(pyridin-2-ylmethyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate 
• 1446307-93-2 (3R)-1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-3-(2-phenyl-2-(piperidin-1-yl)acetoxy)-1-azoniabicyclo[2.2.2]octane chloride 
• 1418287-54-3 methyl 4-chloro-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylate 
• 1376769-58-2 C₁₈H₂₁BN₄O₃ 
• 1273329-62-6 diethyl 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylphosphonate 

Relevant articles and documents

Novel N-Substituted oseltamivir derivatives as potent influenza neuraminidase inhibitors: Design, synthesis, biological evaluation, ADME prediction and molecular docking studies

The discovery of novel potent neuraminidase (NA) inhibitors remains an attractive approach for treating infectious diseases caused by influenza. In this study, we describe the design and synthesis of novel N-substituted oseltamivir derivatives for probing the 150-cavity which is nascent to the activity site of NA. NA inhibitory studies showed that new derivatives demonstrated the inhibitory activity with IC50 values at nM level against NA of a clinical influenza virus strain. Moreover, the in silico ADME predictions showed that the selected compounds had comparable properties with oseltamivir carboxylate, which demonstrated the druggablity of these derivatives. Furthermore, molecular docking studies showed that the most potent compound 6f and 10i could adopt different modes of binding interaction with NA, which may provide novel solutions for treating oseltamivir-resistant influenza. Based on the research results, we consider that compounds 6f and 10i have the potential for further studies as novel antiviral agents.

QUINUCLIDINE ESTERS OF 1-AZAHETEROCYCLYLACETIC ACID AS ANTIMUSCARINIC AGENTS, PROCESS FOR THEIR PREPARATION AND MEDICINAL COMPOSITIONS THEREOF

Compounds of formula (I): wherein A, R1, R2, X, m, and n are as defined in the specification, are selective M3 receptor antagonists and may be used in the treatment of, inter alia, a respiratory disease such as asthma and COPD.

ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF

The present invention relates to alkaloid aminoester compounds which act as muscarinic receptor antagonists, processes for the preparation of such a compound, compositions which contain such a compound, and therapeutic uses of such a compound.