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CAS No.: | 19668-85-0 | ||||||||
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Name: | 3-METHYL-5-ISOXAZOLEACETIC ACID 98 | ||||||||
Article Data: | 13 | ||||||||
Molecular Structure: | |||||||||
Formula: | C6H7 N O3 | ||||||||
Molecular Weight: | 141.126 | ||||||||
Synonyms: | 2-(3-Methylisoxazol-5-yl)aceticacid; 3-Methyl-5-isoxazoleacetic acid; 3-Methylisoxazol-5-ylacetic acid | ||||||||
Density: | 1.292g/cm3 | ||||||||
Melting Point: |
101-104 °C(lit.) |
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Boiling Point: | 306.7°C at 760 mmHg | ||||||||
Flash Point: | 139.3°C | ||||||||
Hazard Symbols: | |||||||||
Risk Codes: | 36/37/38 | ||||||||
Safety: |
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PSA: | 63.33000 | ||||||||
LogP: | 0.61010 |
3,5-dimethyl-1,2-oxazole
carbon dioxide
2-(3-methylisoxazol-5-yl)acetic acid
Conditions | Yield |
---|---|
Stage #1: 3,5-dimethyl-1,2-oxazole With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: carbon dioxide In tetrahydrofuran; hexane at 20℃; under 760.051 Torr; for 1h; | 89% |
Stage #1: 3,5-dimethyl-1,2-oxazole With n-butyllithium In tetrahydrofuran at -78 - -55℃; Inert atmosphere; Stage #2: carbon dioxide In tetrahydrofuran at 25℃; for 1.5h; | 46% |
Stage #1: 3,5-dimethyl-1,2-oxazole With n-butyllithium In tetrahydrofuran at -78 - 55℃; for 0.5h; Inert atmosphere; Stage #2: carbon dioxide In tetrahydrofuran at 25℃; for 1.5h; | 46% |
Conditions | Yield |
---|---|
With n-butyllithium; hydroxylamine; sodium carbonate In tetrahydrofuran; hexane; chloroform; water; ethyl acetate |
2-(3-methylisoxazol-5-yl)acetic acid
(2S,4R)-benzyl 4-hydroxy-1-(2-(3-methylisoxazol-5-yl)acetyl)pyrrolidine-2-carboxylate
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃; Cooling with ice; | 100% |
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide for 0.833333h; Cooling; | 100% |
8-isopropyl-2-(3-methanesulfonyl-5-methylaminophenylamino)-5-methyl-7,8-dihydro-5H-pteridin-6-one
2-(3-methylisoxazol-5-yl)acetic acid
C24H29N7O5S
Conditions | Yield |
---|---|
With dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 48h; | 99% |
ethanol
2-(3-methylisoxazol-5-yl)acetic acid
Conditions | Yield |
---|---|
sulfuric acid at 20℃; for 48h; | 97% |
With sulfuric acid In ethanol at 20℃; for 48h; | 97% |
1,1,1-trichloroethanol
2-(3-methylisoxazol-5-yl)acetic acid
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0℃; | 97% |
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0℃; Inert atmosphere; |
(2S,4R)-4-(tert-butoxy)-N-(3-chlorobenzyl)pyrrolidine-2-carboxamide
2-(3-methylisoxazol-5-yl)acetic acid
(2S,4R)-4-(tert-butoxy)-N-(3-chlorobenzyl)-1-(2-(3-methylisoxazol-5-yl)acetyl)pyrrolidine-2-carboxamide
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 4 - 20℃; for 14h; Inert atmosphere; | 94% |
methyl chloroformate
2-(3-methylisoxazol-5-yl)acetic acid
3-Methyl-isoxazol-5-yl-acetic acid methyl ester
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 0 - 20℃; | 93% |
methanol
2-(3-methylisoxazol-5-yl)acetic acid
3-Methyl-isoxazol-5-yl-acetic acid methyl ester
Conditions | Yield |
---|---|
Stage #1: methanol; 2-(3-methylisoxazol-5-yl)acetic acid With thionyl chloride at 0 - 50℃; for 4h; Stage #2: With sodium hydrogencarbonate In water; ethyl acetate | 92% |
With sulfuric acid at 70℃; for 2h; Temperature; | 91% |
With sulfuric acid at 70℃; for 2h; Reagent/catalyst; | 91% |
methyl 4-amino-6-chloro-4'-(dimethylamino)-[1,1'-biphenyl]-3-carboxylate
2-(3-methylisoxazol-5-yl)acetic acid
methyl 6-chloro-4'-(dimethylamino)-4-(2-(3-methylisoxazol-5-yl)acetamido)-[1,1'-biphenyl]-3-carboxylate
Conditions | Yield |
---|---|
With triethylamine; HATU In dichloromethane at 20℃; for 72h; | 92% |