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5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt
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Name

5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

 EINECS 618-215-9
CAS No. 888504-28-7 Density N/A
PSA 65.22000 LogP -0.00090
Solubility N/A Melting Point 258.3 °C (decomp)
Formula C4H3KN2O3 Boiling Point N/A
Molecular Weight 166.178 Flash Point N/A
Transport Information N/A Appearance off-white solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 888504-28-7 (5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt) Hazard Symbols N/A
Synonyms

1,3,4-Oxadiazole-2-carboxylicacid, 5-methyl-, potassium salt (9CI);

Article Data 14

5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt Synthetic route

37641-36-4

5-methyl-1,3,4-oxadiazole-2-carboxylic acid ethyl ester

888504-28-7

5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

Conditions
ConditionsYield
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%
4076-36-2

5-methyl-1,2,3,4-tetrazole

4755-77-5

Ethyl oxalyl chloride

888504-28-7

5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

Conditions
ConditionsYield
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%
37641-35-3

5-methyl-[1,3,4]oxadiazol carboxylic acid potassium salt

888504-28-7

5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

Conditions
ConditionsYield
With potassium hydroxide; water In ethanol at 20℃; for 1.16667h;

C6H8N4O3

888504-28-7

5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

Conditions
ConditionsYield
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
888504-28-7

5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

889131-28-6

5-methyl-1,3,4-oxadiazole-2-carboxylic acid chloride

Conditions
ConditionsYield
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;
888504-28-7

5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

2-(2-aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carbox-amide methanesulfonate

518048-05-0

raltegravir

Conditions
ConditionsYield
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%
888504-28-7

5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

C44H58N6O9S2

C43H52N8O9S2

Conditions
ConditionsYield
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%
888504-28-7

5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

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

A

Ethyl 2-(2-(4-fluorobenzylcarbamoyl)-3-hydroxy-4-oxo-6,7-dihydro-4H-spiro[pyrimido[2,1-c][1,4]oxazine-9,3'-pyrrolidine]-1'-yl)-2-oxoacetate

B

N-(4-Fluorobenzyl)-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxo-6,7-dihydro-4H-spiro[pyrimido[2,1-c][1,4]oxazine-9,3'-pyrrolidine]-2-carboxamide

Conditions
ConditionsYield
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%
888504-28-7

5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

(S)-2-(6-(aminomethyl)-4-(4,4-dimethylpiperidin-1-yl)-5-(4-(4-fluorophenethoxy)phenyl)-2-methylpyridin-3-yl)-2-(tert-butoxy)acetic acid

(S)-2-(tert-butoxy)-2-(4-(4,4-dimethylpiperidin-1-yl)-5-(4-(4-fluorophenethoxy)phenyl)-2-methyl-6-((5-methyl-1,3,4-oxadiazole-2-carboxamido)methyl)pyridin-3-yl)acetic acid

Conditions
ConditionsYield
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%
888504-28-7

5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

C38H48N6O7S2*ClH

C42H50N8O9S2

Conditions
ConditionsYield
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%

5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt Specification

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

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