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CAS No.: | 888504-28-7 |
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Name: | 5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C4H3KN2O3 |
Molecular Weight: | 166.178 |
Synonyms: | 1,3,4-Oxadiazole-2-carboxylicacid, 5-methyl-, potassium salt (9CI); |
EINECS: | 618-215-9 |
Melting Point: | 258.3 °C (decomp) |
Appearance: | off-white solid |
PSA: | 65.22000 |
LogP: | -0.00090 |
5-methyl-1,3,4-oxadiazole-2-carboxylic acid ethyl ester
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt
Conditions | Yield |
---|---|
With potassium trimethylsilonate In diethyl ether at 20℃; | 100% |
With potassium hydroxide In ethanol; water at 10 - 20℃; for 0.666667h; | 95% |
With potassium trimethylsilonate In diethyl ether at 20℃; | 73% |
5-methyl-1,2,3,4-tetrazole
Ethyl oxalyl chloride
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt
Conditions | Yield |
---|---|
Stage #1: 5-methyl-1,2,3,4-tetrazole; Ethyl oxalyl chloride With triethylamine In toluene at 0 - 65℃; for 3h; Stage #2: With potassium hydroxide; water In ethanol at 10 - 20℃; for 1.16667h; | 90.8% |
Stage #1: 5-methyl-1,2,3,4-tetrazole; Ethyl oxalyl chloride With triethylamine In toluene at 0 - 5℃; for 1h; Stage #2: In toluene at 50 - 65℃; for 1.66667 - 1.83333h; Stage #3: With potassium hydroxide In ethanol; water at 10 - 20℃; for 1.16667h; | 90.8% |
5-methyl-[1,3,4]oxadiazol carboxylic acid potassium salt
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt
Conditions | Yield |
---|---|
With potassium hydroxide; water In ethanol at 20℃; for 1.16667h; |
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt
Conditions | Yield |
---|---|
Stage #1: C6H8N4O3 In toluene at 50 - 70℃; Large scale reaction; Stage #2: With potassium hydroxide In ethanol; water at 10 - 20℃; | 4.48 kg |
With potassium hydroxide In ethanol; water at 10℃; for 0.5h; | 8.0 g |
With potassium hydroxide In ethanol; water for 2h; | 3.62 g |
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt
5-methyl-1,3,4-oxadiazole-2-carboxylic acid chloride
Conditions | Yield |
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With phosgene; N,N-dimethyl-formamide In toluene at 0 - 5℃; for 1.5h; | 100% |
With oxalyl dichloride; N,N-dimethyl-formamide In acetonitrile at 0 - 5℃; for 1.33333h; | |
With oxalyl dichloride; N,N-dimethyl-formamide In acetonitrile at 0℃; for 2.33333h; Product distribution / selectivity; |
Conditions | Yield |
---|---|
Stage #1: 5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt With oxalyl dichloride; N,N-dimethyl-formamide In toluene at 0 - 5℃; for 1.5h; Inert atmosphere; Stage #2: 2-(2-aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carbox-amide methanesulfonate With triethylamine In toluene; acetonitrile at 20 - 55℃; | 87% |
Conditions | Yield |
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Stage #1: C44H58N6O9S2 With hydrogenchloride In isopropyl alcohol at 0 - 20℃; Stage #2: 5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 30℃; for 6h; Inert atmosphere; | 60% |
Conditions | Yield |
---|---|
Stage #1: 5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 1h; Stage #2: N-(4-fluorobenzyl)-3-hydroxy-4-oxo-6,7-dihydro-4H-spiro[pyrimido[2,1-c][1,4]oxazine-9,3'-pyrrolidine]-2-carboxamide hydrobromide With triethylamine In dichloromethane at 20℃; for 18h; | A 35% B 56% |
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt
Conditions | Yield |
---|---|
Stage #1: 5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt With oxalyl dichloride In dichloromethane at 20℃; for 1h; Stage #2: (S)-2-(6-(aminomethyl)-4-(4,4-dimethylpiperidin-1-yl)-5-(4-(4-fluorophenethoxy)phenyl)-2-methylpyridin-3-yl)-2-(tert-butoxy)acetic acid With N-ethyl-N,N-diisopropylamine In tetrahydrofuran; water at 20℃; for 1.5h; | 35.9% |
Conditions | Yield |
---|---|
With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 30℃; for 4h; Inert atmosphere; | 30% |
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The 5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt with the cas number 888504-28-7. Propertes of 5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt are as the following: (1)#H bond acceptors: 5 ; (2)#H bond donors: 1 ; (3)#Freely Rotating Bonds: 1 ; (4)Polar Surface Area: 79.05 Å2
This cahmical are available in the market, there are many supplier in China as the following:
Hongkong Yudiao Bio-pharm Co., Ltd.
Shanghai Huiku Biology Technology Co., Ltd.
Shanghai Feibo Chemistry Technology Co., Ltd.
Beijing Huikang Boyuan Chemical Tech Co., Ltd.
Beijing Hony Biopharma Technology Co., Ltd.
You can still convert the following datas into molecular structure :
1. SMILES:[K+].[O-]C(=O)c1nnc(C)o1
2. InChI:InChI=1/C4H4N2O3.K/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);/q;+1/p-1