| Identification | Back Directory | [Name]
5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt | [CAS]
888504-28-7 | [Synonyms]
5-Methyl-
Raltegravir Oxadiazole Impurity
5-Methyl-1,3,4-oxadiazole-2-carboxylate
4-oxadiazole-2-carboxylic acid potassium salt
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium
potassiuM 5-Methyl-1,3,4-oxadiazole-2-carboxylic acid
5-Methyl-1,3,4-oxadiazole-2-carboxylate,potassium salt
Potassium salt, 5-methyl-1,3, 4-oxadiazole-2-carboxylate
7,8-difluoro-6,11-dihydro-dibenzo [b, e] thieno-11-alcohol
5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt
5-methyl-1,3,4-oxadiazole-2-carboxylic acid(SALTDATA: FREE)
1,3,4-Oxadiazole-2-carboxylic acid, 5-Methyl-, potassiuM salt
5-Methyl-1,3,4-oxadiazole-2-carboxylic acid, potassiuM salt (1:1)
1,3,4-Oxadiazole-2-carboxylicacid, 5-Methyl-, potassiuM salt (1:1)
8. 1,3,4-Oxadiazole-2-carboxylicacid, 5-methyl-, potassium salt (1:1)
5-Methyl-l,3,4-oxadiazole-2-carboxylic acid potassium salt(Raltegravir) | [EINECS(EC#)]
618-215-9 | [Molecular Formula]
C4H3KN2O3 | [MDL Number]
MFCD08060085 | [MOL File]
888504-28-7.mol | [Molecular Weight]
166.18 |
| Chemical Properties | Back Directory | [Melting point ]
258.3 °C (decomp) | [storage temp. ]
Inert atmosphere,Store in freezer, under -20°C | [solubility ]
Water | [form ]
Solid | [color ]
Off-White | [InChI]
InChI=1S/C4H4N2O3.K/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);/q;+1/p-1 | [InChIKey]
BRHMYHXNUGVBCU-UHFFFAOYSA-M | [SMILES]
C1(C(=O)[O-])OC(C)=NN=1.[K+] |
| Hazard Information | Back Directory | [Chemical Properties]
Off-White Solid | [Uses]
An intermediate in the preparation of HIV-integrase inhibitors | [Synthesis]
Synthesis of potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate (19b): potassium triethylsilanolate (411 mg, 3.20 mmol) was suspended in ethyl ether at room temperature and stirred to form a slurry. Subsequently, ethyl 5-methyl-1,3,4-oxadiazole-2-carboxylate (0.50 g, 3.20 mmol) was added at once. The reaction immediately produced a precipitate, which changed color from white to off-white. The precipitate was separated by filtration, washed with ether and dried to give the title compound as an off-white solid (580 mg, quantitative yield).1H NMR (300 MHz, CDCl3): δ 2.61 (3H, s). 13C NMR (75 MHz, D2O): δ 166.7, 161.3, 159.3, 10.4. | [References]
[1] Patent: US2009/35324, 2009, A1. Location in patent: Page/Page column 12
[2] Patent: WO2016/127859, 2016, A1. Location in patent: Paragraph 00194
[3] Patent: CN106349233, 2017, A. Location in patent: Paragraph 0243; 0274; 0275; 0276
[4] Patent: WO2006/60711, 2006, A2. Location in patent: Page/Page column 30-31
[5] Patent: WO2006/60731, 2006, A2. Location in patent: Page/Page column 35-36 |
|
|