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

Name
5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt
EINECS 618-215-9
CAS No. 888504-28-7
Article Data14
CAS DataBase
Density
Solubility
Melting Point 258.3 °C (decomp)
Formula C₄H₃KN₂O₃
Boiling Point
Molecular Weight 166.178
Flash Point
Transport Information
Appearance off-white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3,4-Oxadiazole-2-carboxylicacid, 5-methyl-, potassium salt (9CI);
PSA 65.22000
LogP -0.00090

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

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%

: 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

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%

: 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

Conditions	Yield
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

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

: 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

Conditions	Yield
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

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%

: 888504-28-7
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

: C44H58N6O9S2

: C43H52N8O9S2

Conditions

Conditions	Yield
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

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%

...Expand

: 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

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%

: 888504-28-7
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

: C38H48N6O7S2*ClH

: C42H50N8O9S2

Conditions

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%

: 888504-28-7
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

: 1100750-76-2
2-(2-amino-(1,3-d6-propan)-2-yl)-N-(4-fluorobenzyl-d6)-5-hydroxy-1-(methyl-d3)-6-oxo-1,6-dihydropyrimidine-4-carboxamide

: 1100751-07-2
N-(2-(4-(4-fluoro(benzyl-d6)carbamoyl)-5-hydroxy-1-(methyl-d3)-6-oxo-1,6-dihydropyrimidin-2-yl)-(1,3-d6-propan)-2-yl)-5-methyl-1,3,4-oxadiazole-2-carboxamide

Conditions

Conditions	Yield
With HATU In N,N-dimethyl-formamide at 0℃; for 3h;	25%

: 888504-28-7
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

: 3276-37-7
1-methyl-1-(4-nitro-phenyl)-ethylamine

: 5-methyl-N-(2-(4-nitrophenyl)propan-2-yl)-1,3,4-oxadiazole-2-carboxamide

Conditions

Conditions	Yield
Stage #1: 5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt With oxalyl dichloride; N,N-dimethyl-formamide for 1h; Cooling with ice; Stage #2: 1-methyl-1-(4-nitro-phenyl)-ethylamine With 4-methyl-morpholine for 2h; Cooling with ice;	20%

: 888504-28-7
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

: 1169849-35-7
3β-O-(3',3'-dimethylsuccinyl)-17β-(methylamino)-21-oxolup-18-ene

: 1169850-90-1
3β-O-(3',3'-dimethylsuccinyl)-17β-[methyl-(5-methyl-[1,3,4]oxadiazole-2-carbonyl)-amino]-21-oxolup-18-ene

Conditions

Conditions	Yield
Stage #1: 5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt With oxalyl dichloride; N,N-dimethyl-formamide In acetonitrile at 0℃; for 0.833333h; Stage #2: 3β-O-(3',3'-dimethylsuccinyl)-17β-(methylamino)-21-oxolup-18-ene With triethylamine In tetrahydrofuran; acetonitrile at 20℃; for 3.5h;	16%
Stage #1: 5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt With oxalyl dichloride; N,N-dimethyl-formamide In acetonitrile at 0℃; for 0.833333h; Stage #2: 3β-O-(3',3'-dimethylsuccinyl)-17β-(methylamino)-21-oxolup-18-ene With triethylamine In tetrahydrofuran; acetonitrile at 20℃; for 3.5h;	16%

: 888504-28-7
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

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

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

Conditions

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-(tert-butoxy)-2-(4-(4,4-dimethylpiperidin-1-yl)-5-(4-(4-fluorophenethoxy)phenyl)-2-methyl-6-((methylamino)methyl)pyridin-3-yl)acetic acid In dichloromethane at 20℃; for 2h;	13.86%

: 888504-28-7
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

: N-(4-fluorobenzyl)-3'-hydroxy-4'-oxo-4',6',7',8'-tetrahydrospiro[piperidine-4,9'-pyrazino[1,2-a]pyrimidine]-2'-carboxamide hydrobromide

: N-(4-Fluorobenzyl)-3'-hydroxy-1-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4'-oxo-4',6',7',8'-tetrahydrospiro[piperidine-4,9'-pyrazino[1,2-a]pyrimidine]-2'-carboxamide

Conditions

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 0.5h; Stage #2: N-(4-fluorobenzyl)-3'-hydroxy-4'-oxo-4',6',7',8'-tetrahydrospiro[piperidine-4,9'-pyrazino[1,2-a]pyrimidine]-2'-carboxamide hydrobromide With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;	9%

: 888504-28-7
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

: (S)-2-(6-(acetamidomethyl)-4-(4,4-dimethylpiperidin-1-yl)-5-(2-(4-fluoro-2-methylbenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylpyridin-3-yl)-2-(tert-butoxy)acetic acid

: (S)-2-(tert-butoxy)-2-(4-(4,4-dimethylpiperidin-1-yl)-5-(2-(4-fluoro-2-methylbenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-6-((5-methyl-1,3,4-oxadiazole-2-carboxamido)methyl)pyridin-3-yl)acetic acid

Conditions

Conditions	Yield
Stage #1: 5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt With oxalyl dichloride In dichloromethane for 1h; Stage #2: (S)-2-(6-(acetamidomethyl)-4-(4,4-dimethylpiperidin-1-yl)-5-(2-(4-fluoro-2-methylbenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylpyridin-3-yl)-2-(tert-butoxy)acetic acid With triethylamine In dichloromethane at 20℃; for 2h;	8.49%

: 518048-03-8
2-(1-amino-1-methyl-ethyl)-N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-4-pyrimidinecarboxamide

: 888504-28-7
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

: 518048-05-0
raltegravir

Conditions

Conditions	Yield
Stage #1: 5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt With 4-methyl-morpholine; pivaloyl chloride In 1-methyl-pyrrolidin-2-one; acetonitrile at 0℃; for 6.16667h; Stage #2: 2-(1-amino-1-methyl-ethyl)-N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-4-pyrimidinecarboxamide With 4-methyl-morpholine In 1-methyl-pyrrolidin-2-one; acetonitrile at 20℃; for 16h;

: 888504-28-7
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

: 1172131-64-4
2,2-dimethyl-propionic acid 2-(1-amino-1-methyl-ethyl)-4-(4-fluorobenzylcarbamoyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl ester

: 518048-05-0
raltegravir

Conditions

Conditions	Yield
Stage #1: 5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt With 4-methyl-morpholine; pivaloyl chloride In 1-methyl-pyrrolidin-2-one; acetonitrile at -10℃; for 15h; Inert atmosphere; Stage #2: 2,2-dimethyl-propionic acid 2-(1-amino-1-methyl-ethyl)-4-(4-fluorobenzylcarbamoyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl ester In 1-methyl-pyrrolidin-2-one; acetonitrile at 20℃; Stage #3: With ammonium hydroxide In isopropyl alcohol at 20℃; for 1h;

Yield

Stage #1: 5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt With 4-methyl-morpholine; pivaloyl chloride In 1-methyl-pyrrolidin-2-one; acetonitrile at -10℃; for 15h; Inert atmosphere;
Stage #2: 2,2-dimethyl-propionic acid 2-(1-amino-1-methyl-ethyl)-4-(4-fluorobenzylcarbamoyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl ester In 1-methyl-pyrrolidin-2-one; acetonitrile at 20℃;
Stage #3: With ammonium hydroxide In isopropyl alcohol at 20℃; for 1h;

: 888504-28-7
5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

: cis-7-methyl-N-(3,4,5-trifluorophenyl)-2,3,3a,4,10,10a-hexahydro-1H,7H-dipyrrolo[3,4-b:3',4'-f][1,4,5]oxathiazocine-8-carboxamide 5,5-dioxide hydrochloride

: cis-7-methyl-2-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-(3,4,5-trifluorophenyl)-2,3,3a,4,10,10a-hexahydro-1H,7H-dipyrrolo[3,4-b:3',4'-f][1,4,5]oxathiazocine-8-carboxamide 5,5-dioxide

Conditions

Conditions	Yield
With 2-(2,3-dihydro-1H-benzo[d][1,2,3]triazol-1-yl)-1,1,3,3-tetramethylisouronium hexafluorophosphate(V); triethylamine In N,N-dimethyl-formamide at 20℃; for 1h;	7.23 mg

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

Product Name

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

Synthetic route

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

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