175205-62-6

Basic information

• Product Name: 3-(CHLOROMETHYL)-5-(3-METHOXYPHENYL)-1,2,4-OXADIAZOLE
• Synonyms: BUTTPARK 48\08-24;3-(CHLOROMETHYL)-5-(3-METHOXYPHENYL)-1,2,4-OXADIAZOLE;3-[3-(Chloromethyl)-1,2,4-oxadiazol-5-yl]anisole, 3-[3-(Chloromethyl)-1,2,4-oxadiazol-5-yl]phenyl methyl ether
• CAS NO: 175205-62-6
• Molecular Formula: C₁₀H₉ClN₂O₂
• Molecular Weight: 224.64
• Mol File: 175205-62-6.mol

Chemical Properties

• Melting Point: 58-59℃
• Boiling Point: 364.6°Cat760mmHg
• Flash Point: 174.3°C
• Appearance: /
• Density: 1.278g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.548
• CAS DataBase Reference: 3-(CHLOROMETHYL)-5-(3-METHOXYPHENYL)-1,2,4-OXADIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(CHLOROMETHYL)-5-(3-METHOXYPHENYL)-1,2,4-OXADIAZOLE(175205-62-6)
• EPA Substance Registry System: 3-(CHLOROMETHYL)-5-(3-METHOXYPHENYL)-1,2,4-OXADIAZOLE(175205-62-6)

Safety Data

• Hazard Codes: C,Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 175205-62-6(Hazardous Substances Data)

Usage

Uses

Used in Organic Chemistry Research:
3-(CHLOROMETHYL)-5-(3-METHOXYPHENYL)-1,2,4-OXADIAZOLE is used as a research compound for exploring its chemical properties and potential reactions within the field of organic chemistry. Its distinctive structural components, including the chloromethyl and methoxyphenyl groups, may offer insights into new synthetic pathways or chemical interactions.
Used in Industrial Applications:
While specific uses are not well-documented, 3-(CHLOROMETHYL)-5-(3-METHOXYPHENYL)-1,2,4-OXADIAZOLE may be employed in certain industrial processes due to its unique structural features. The chloromethyl group, in particular, could be utilized in the synthesis of other compounds or materials, although further investigation is necessary to determine its practical applications in this context.

InChI:InChI=1/C10H9ClN2O2/c1-14-8-4-2-3-7(5-8)10-12-9(6-11)13-15-10/h2-5H,6H2,1H3

Upstream product

• 255876-59-6 C₁₀H₁₁ClN₂O₃ 
• 1711-05-3 m-anisoyl chloride 

Downstream Products

• 1352565-30-0 (R)-1-((5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)methyl)-3-((R)-2-phenyl-2-(phenylamino)acetoxy)-1-azoniabicyclo[2.2.2]octane chloride 
• 1354696-56-2 8-(3-{[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy}-1-methyl-1H-pyrazol-5-yl)-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione 
• 1354696-65-3 8-(3-{[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy}-1-methyl-1H-pyrazol-5-yl)-1,3-dipropyl-7-{[2-(trimethylsilanyl)ethoxy]methyl}-3,7-dihydro-1H-purine-2,6-dione 

Relevant articles and documents

Novel 1,3-dipropyl-8-(1-heteroarylmethyl-1H-pyrazol-4-yl)-xanthine derivatives as high affinity and selective A2B adenosine receptor antagonists

A series of new 1,3-dipropyl-8-(1-heteroarylmethyl-1H-pyrazol-4-yl)- xanthine derivatives as A2B-AdoR antagonists have been synthesized and evaluated for their binding affinities for the A2B, A 1, A2A, and A3-AdoRs. 8-(1-((3-phenyl-1,2,4- oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione (4) displayed high affinity (Ki = 1 nM) and selectivity for the A2B-AdoR versus A1, A2A, and A 3-AdoRs (A1/A2B, A2A/A2B, and A3/A2B selectivity ratios of 370, 1100, and 480, respectively). The synthesis and SAR of this novel class of compounds are presented herein.

Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists

The present invention relates to new compounds of formula I, to pharmaceutical formulations containing the compounds, and to the use of the compounds in the prevention and/or treatment of mGluR5 receptor-mediated disorders.

The discovery of a selective, high affinity A2B adenosine receptor antagonist for the potential treatment of asthma

Adenosine has been suggested to play a role in asthma, possibly via activation of A2B adenosine receptors on mast cells and other pulmonary cells. We describe our initial efforts to discover a xanthine based selective A2B AdoR antagonist that resulted in the discovery of CVT-5440, a high affinity A2B AdoR antagonist with good selectivity (A2B AdoR Ki = 50 nM, selectivity A1 > 200: A2A > 200: A3 > 167).