2-AMINO-5-(2-CHLOROPHENYL)-1,3,4-THIADIAZOLE manufacturers
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| | 2-AMINO-5-(2-CHLOROPHENYL)-1,3,4-THIADIAZOLE Basic information |
| Product Name: | 2-AMINO-5-(2-CHLOROPHENYL)-1,3,4-THIADIAZOLE | | Synonyms: | VITAS-BB TBB000090;IFLAB-BB F1386-0067;5-(2-CHLOROPHENYL)-1,3,4-THIADIAZOL-2-AMINE;5-(2-CHLORO-PHENYL)-[1,3,4]THIADIAZOL-2-YLAMINE;2-AMINO-5-(2-CHLOROPHENYL)-1,3,4-THIADIAZOLE;5-(2-Chlorophenyl);1,3,4-Thiadiazol-2-aMine, 5-(2-chlorophenyl)- | | CAS: | 828-81-9 | | MF: | C8H6ClN3S | | MW: | 211.67 | | EINECS: | | | Product Categories: | | | Mol File: | 828-81-9.mol |  |
| | 2-AMINO-5-(2-CHLOROPHENYL)-1,3,4-THIADIAZOLE Chemical Properties |
| Melting point | 192-195 °C | | Boiling point | 393.8±44.0 °C(Predicted) | | density | 1.461±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | form | solid | | pka | 2.28±0.10(Predicted) | | Appearance | Light yellow to brown Solid | | InChI | 1S/C8H6ClN3S/c9-6-4-2-1-3-5(6)7-11-12-8(10)13-7/h1-4H,(H2,10,12) | | InChIKey | JKSGNHRIXMYPIO-UHFFFAOYSA-N | | SMILES | Nc1nnc(s1)-c2ccccc2Cl |
| Hazard Codes | Xi,T | | Risk Statements | 25 | | Safety Statements | 45 | | WGK Germany | WGK 3 | | HazardClass | IRRITANT | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral |
| | 2-AMINO-5-(2-CHLOROPHENYL)-1,3,4-THIADIAZOLE Usage And Synthesis |
| Synthesis | 5.1.1 Synthesis of 5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine (68): 2-chlorobenzoic acid (5.18 g, 25 mmol) and aminothiourea (2.28 g, 25 mmol) were dissolved in POCl3 (7 ml) and stirred vigorously for 0.5 hr at 75 °C. After completion of the reaction, H2O (30 ml) was added and the mixture was heated to reflux for 4 hours. Subsequently, the reaction mixture was adjusted with 50% NaOH solution to pH 8. The precipitate was collected by filtration and the filter cake was purified by recrystallization from ethanol to give the yellow crystalline product 68 in a yield of 3.90 g, 88% yield, melting point 190-192 °C (EtOH). The product was analyzed by ESI-MS, m/z: 212.1 [M + H]+; 1H NMR (CDCl3) δ 7.45-7.50 (m, 4H), 7.60-7.62 (m, 1H), 7.99-8.01 (m, 1H). Compounds 60-81 were synthesized in the same way. | | References | [1] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1999, vol. 38, # 8, p. 998 - 1001
[2] Bioorganic and Medicinal Chemistry, 2014, vol. 22, # 21, p. 5766 - 5775
[3] Medicinal Chemistry Research, 2018, vol. 27, # 7, p. 1800 - 1821
[4] Medicinal Chemistry Research, 2012, vol. 21, # 6, p. 816 - 824
[5] Journal of Chemical Research, 2014, vol. 38, # 6, p. 347 - 350 |
| | 2-AMINO-5-(2-CHLOROPHENYL)-1,3,4-THIADIAZOLE Preparation Products And Raw materials |
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