21358-13-4

Basic information

• Product Name: 5-PHENOXYMETHYL-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL
• Synonyms: BUTTPARK 62\07-97;5-PHENOXYMETHYL-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL;AKOS BBS-00003395;TIMTEC-BB SBB001150;Albb-008850;5-(phenoxymethyl)-4-phenyl-2H-1,2,4-triazole-3-thione
• CAS NO: 21358-13-4
• Molecular Formula: C₁₅H₁₃N₃OS
• Molecular Weight: 283.35
• Mol File: 21358-13-4.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 413.3°C at 760 mmHg
• Flash Point: 203.7°C
• Appearance: /
• Density: 1.26g/cm³
• Vapor Pressure: 4.86E-07mmHg at 25°C
• Refractive Index: 1.661
• CAS DataBase Reference: 5-PHENOXYMETHYL-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 5-PHENOXYMETHYL-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL(21358-13-4)
• EPA Substance Registry System: 5-PHENOXYMETHYL-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL(21358-13-4)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 21358-13-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C15H13N3OS/c20-15-17-16-14(11-19-13-9-5-2-6-10-13)18(15)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,20)

Upstream product

• 4664-55-5 phenoxyacetyl hydrazine 
• 18233-67-5 2-(2-phenoxyacetyl)-N-phenylhydrazinecarbothioamide 
• 2555-49-9 phenoxyacetic acid ethyl ester 
• 103-72-0 phenyl isothiocyanate 
• 122-59-8 2-phenoxyacetic acid 

Downstream Products

• 131942-94-4 2-(5-Phenoxymethyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-p-tolyl-thiazol-2-yl)-acetamide 
• 129544-80-5 2-[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-ylsulfanyl]-1-phenylethanone 
• 129545-04-6 3-(3,5-Dimethyl-1H-pyrazol-4-ylsulfanyl)-5-phenoxymethyl-4-phenyl-4H-[1,2,4]triazole 
• 1240489-61-5 3-(3,4-dichlorobenzylsulfanyl)-5-phenoxymethyl-4-phenyl-4H-1,2,4-triazole 
• 1240489-60-4 3-(2,4-dichlorobenzylsulfanyl)-5-phenoxymethyl-4-phenyl-4H-1,2,4-triazole 
• 956085-82-8 1-(4-nitrophenyl)-2-[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-ylsulfanyl]ethanone 
• 335219-32-4 C₁₈H₁₉N₃OS 
• 129544-78-1 3-Methylsulfanyl-5-phenoxymethyl-4-phenyl-4H-[1,2,4]triazole 
• 21358-35-0 3-ethylsulfanyl-5-phenoxymethyl-4-phenyl-4H-[1,2,4]triazole 
• 335219-30-2 C₁₉H₂₁N₃OS 
• 1418012-71-1 C₁₉H₁₉N₃OS 
• 1418012-72-2 C₂₀H₂₁N₃OS 
• 1418012-73-3 C₂₁H₂₃N₃OS 
• 1418012-74-4 C₂₀H₂₁N₃OS 

Relevant articles and documents

1,2,4-Triazole-based benzothiazole/benzoxazole derivatives: Design, synthesis, p38α MAP kinase inhibition, anti-inflammatory activity and molecular docking studies

Novel N-(benzothiazol/oxazol-2-yl)-2-[(5-(phenoxymethyl)-4-aryl-4H-1,2,4-triazol-3-yl)thio] acetamide derivatives (5a-n) were synthesized and investigated for in vitro anti-inflammatory activity and p38α MAP kinase inhibition. Compounds showing good in vitro activities (5a, 5b, 5d, 5e, 5i, 5k and 5l) were studied for their in vivo anti-inflammatory activity using carrageenan induced rat paw edema model. Compound 5b emerged as the most active compound with an edema inhibition of 84.43%. It also showed improved GI safety profile with lower ulcer severity index and lipid peroxidation potential. Also, p38α MAP kinase assay of 5b showed superior inhibitory potency (IC50:0.031 ± 0.14 μM) than the standard SB 203580 (IC50:0.043 ± 0.14 μM). To predict their binding mode compounds were also docked against p38α MAP kinase enzyme. Compound 5b and SB 203580 showed hinge region interaction with MET 109.

Synthesis of 1,2,4-triazole-3-thiols and their S-substituted derivatives

New 1,2,4-triazole-3-thiols were synthesized by reactions of the corresponding carboxylic acid hydrazides with isothiocyanates and subsequent cyclization of intermediate 1,4-substituted thiosemicarbazides. Alkylation of 1,2,4-triazole-3-thiols with benzyl

Synthesis and biological activity of new derivatives of 3-phenoxymethyl-4-R-D2-1,2,4-triazoline-5-thione.

New derivatives of 1,2,4-triazoline-5-thione system were obtained. The effects of both these compounds AP-I (3-phenoxymethyl-4-phenyl-D2-1,2,4-triazoline-5-thione) and AP-II (3-phenoxymethyl-4-ethyl-D2-1,2,4-triazoline-5-thione) on the central nervous sys