123770-62-7

Basic information

• Product Name: ETHYL 5-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLATE
• Synonyms: ETHYL 5-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLATE;5-(Hydroxymethyl)isoxazole-3-carboxylic acid ethyl ester
• CAS NO: 123770-62-7
• Molecular Formula: C₇H₉NO₄
• Molecular Weight: 171.15
• Mol File: 123770-62-7.mol
• Article Data: 34

Chemical Properties

• Boiling Point: 338.8±32.0 °C(Predicted)
• Appearance: /
• Density: 1.280±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 13.12±0.10(Predicted)
• CAS DataBase Reference: ETHYL 5-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 5-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLATE(123770-62-7)
• EPA Substance Registry System: ETHYL 5-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLATE(123770-62-7)

Safety Data

• Hazardous Substances Data: 123770-62-7(Hazardous Substances Data)

Usage

General Description

ETHYL 5-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLATE is a chemical compound with the molecular formula C9H11NO4. It is a ester derivative of isoxazole carboxylic acid, which is commonly used in the synthesis of pharmaceuticals and agrochemicals. It is a white solid with a molecular weight of 197.19 g/mol. ETHYL 5-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLATE is known for its potential medicinal properties, including as a potential anti-inflammatory and anti-cancer agent. The presence of the hydroxymethyl group allows for the modification of the compound to enhance its biological activity, making it a target for drug discovery and development.

Upstream product

• 623-73-4 diazoacetic acid ethyl ester 
• 107-19-7 propargyl alcohol 
• 861135-87-7 chlorohydroxyimino-acetic acid ethyl ester 
• 626-35-7 nitroacetic acid ethyl ester 
• 95080-93-6 ethyl chlorooximidoacetate 
• 14337-43-0 ethyl 2-chloro-2-(hydroxyimino)acetate 

Downstream Products

• 80173-68-8 5-(chloromethyl)-3-isoxazolecarbonyl chloride 
• 1258503-49-9 ethyl 5-(3-fluorobenzyl)isoxazole-3-carboxylate 
• 138742-18-4 ethyl 5-(tert-butoxycarbonylamino)isoxazole-3-carboxylate 
• 210641-15-9 5-(hydroxymethyl)-N-methylisoxazole-3-carboxamide 
• 1256241-04-9 3-ethoxycarbonyl-isoxazol-5-ylmethyl 2-(4-chlorophenoxy)-7-aza-spiro[3.5]nonane-7-carboxylate 
• 1227245-68-2 ethyl 5-(4-nitrophenoxycarbonyloxymethyl)isoxazole-3-carboxylate 
• 1332461-49-0 (E)-3-((5-((4-(3-methoxyphenyl)piperazin-1-yl)methyl)iso-xazol-3-yl)methylene)indolin-2-one 
• 1332461-48-9 (Z)-3-((5-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)iso-xazol-3-yl)methylene)indolin-2-one 
• 1332461-47-8 (E)-3-((5-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)iso-xazol-3-yl)methylene)indolin-2-one 
• 1332461-39-8 C₂₈H₂₈ClFN₄O₄ 
• 1332461-38-7 C₂₈H₂₉FN₄O₄ 
• 1332461-37-6 C₂₈H₂₈F₂N₄O₄ 
• 1332461-35-4 C₂₈H₂₈ClFN₄O₄ 
• 1332461-34-3 C₂₈H₂₈Cl₂N₄O₄ 

Relevant articles and documents

Synthesis and Characterization of Isoxazole-Based Energetic Plasticizer Candidates EEIN and IDN

This study presents the synthesis of ethyl 5-[(nitrooxy)methyl]isoxazole-3-carboxylate (EEIN) and isoxazole-3,5-diylbis(methylene) dinitrate (IDN). These compounds, each derived from 5-(hydroxymethyl)isoxazole-3-carboxylate, were fully characterized and their explosive sensitivity properties were determined. EEIN was isolated as a solid material with a relatively low melting temperature and IDN was isolated as a liquid with excellent energetic performance properties. In addition, we report the molecular structure of ethyl 5-[(nitrooxy)methyl]isoxazole-3-carboxylate as determined by single-crystal X-ray diffractometry. These compounds possess promising properties as plasticizing ingredients in propellant formulations.

Catalyst-free formation of nitrile oxides and their further transformations to diverse heterocycles

The formation of nitrile oxides with diazocarbonyl compounds by nitrosyl transfer from tert-butyl nitrite under mild conditions and without the use of a catalyst or an additive is reported. This transformation is broadly applicable to the synthesis of fur

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