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| | 5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL Basic information |
| Product Name: | 5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL | | Synonyms: | 2-phenyl-1,3,4-oxadiazole-5-thiol;4-oxadiazole-2(3h)-thione,5-phenyl-3;4-oxadiazole-5-thiol,2-phenyl-3;RARECHEM BG FB 0043;Phenyl-1,3,4-Oxadiazole-2-thiole,5-;1,3,4-Oxadiazole-2(3H)-thione, 5-phenyl-;5-Phenyl-2-mercapto-1,3,4-oxadiazole;HA-43 | | CAS: | 3004-42-0 | | MF: | C8H6N2OS | | MW: | 178.21 | | EINECS: | 221-103-9 | | Product Categories: | Sulphur Derivatives;Heterocyclic Building Blocks;Laser DyesBuilding Blocks;Organic Electronics and Photonics;Oxadiazoles;Photonic and Optical Materials | | Mol File: | 3004-42-0.mol |  |
| | 5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL Chemical Properties |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 3 | | RTECS | RO0829900 | | TSCA | Yes | | HazardClass | IRRITANT | | HS Code | 29349990 |
| | 5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL Usage And Synthesis |
| Chemical Properties | slightly yellow crystalline powder | | Synthesis | General procedure for the synthesis of 5-phenyl-1,3,4-oxadiazole-2-thione from carbon disulfide and benzoylhydrazine: a mixture of benzoylhydrazine (0.41 g, 3 mmol), potassium phosphate (1.02 g, 3 mmol) and carbon disulfide (0.23 g, 3 mmol) in water (15 mL) was stirred at room temperature for 10 minutes. The reaction mixture was then heated to reflux for 2 hours. After completion of the reaction, the pH was adjusted to 7 with 1N HCl, the precipitated solid was filtered and dried in vacuum to afford 5-phenyl-1,3,4-oxadiazole-2-thione (0.51 g, 96%) as a white solid. Melting point: 197-199°C (literature value: 199-201°C).1H NMR (400MHz, CDCl3) δ10.52 (broad single peak, 1H), 7.93 (double peak, J=7.2Hz, 2H), 7.42-7.65 (multiple peaks, 3H). | | References | [1] Tetrahedron, 2012, vol. 68, # 38, p. 7978 - 7983
[2] Patent: CN105837523, 2016, A. Location in patent: Paragraph 0020; 0024
[3] Patent: , 2016, . Location in patent: Paragraph 0018
[4] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 3, p. 481 - 484
[5] Angewandte Chemie - International Edition, 2017, vol. 56, # 7, p. 1885 - 1889 |
| | 5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL Preparation Products And Raw materials |
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