80173-68-8

Basic information

• Product Name: 3-Isoxazolecarbonyl chloride, 5-(chloromethyl)- (9CI)
• Synonyms: 3-Isoxazolecarbonyl chloride, 5-(chloromethyl)- (9CI)
• CAS NO: 80173-68-8
• Molecular Formula: C5H3Cl2NO2
• Molecular Weight: 179.98882
• Product Categories: ACIDHALIDE
• Mol File: 80173-68-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 303.4±32.0 °C(Predicted)
• Appearance: /
• Density: 1.505±0.06 g/cm3(Predicted)
• PKA: -7.27±0.50(Predicted)
• CAS DataBase Reference: 3-Isoxazolecarbonyl chloride, 5-(chloromethyl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Isoxazolecarbonyl chloride, 5-(chloromethyl)- (9CI)(80173-68-8)
• EPA Substance Registry System: 3-Isoxazolecarbonyl chloride, 5-(chloromethyl)- (9CI)(80173-68-8)

Safety Data

• Hazardous Substances Data: 80173-68-8(Hazardous Substances Data)

Upstream product

• 123770-62-7 ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate 
• 139297-56-6 5-(hydroxymethyl)-1,2-oxazole-3-carboxylic acid 
• 3209-41-4 5-chloromethylisoxazole-3-carboxylic acid 
• 99356-59-9 C₈H₁₂BrNO₃Si 
• 95312-50-8 C₈H₁₃NO₃Si 
• 3405-77-4 5-methylisoxazole 3-carboxylic acid 
• 95312-11-1 5-(bromomethyl)-3-isoxazolecarboxylic acid 

Downstream Products

• 203792-29-4 5-chloromethylisoxazole-3-carboxamide 

Relevant articles and documents

INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES

This invention provides novel compounds and the novel compounds for use as a medicine, more in particular for the prevention or treatment of neurodegenerative disorders, more specifically certain neurological disorders, such as disorders collectively known as tauopathies, and disorders characterised by cytotoxic α-synuclein amyloidogenesis. The present invention also relates to the use of said novel compounds for the manufacture of medicaments useful for treating such neurodegenerative disorders. The present invention further relates to pharmaceutical compositions including said novel compounds and to methods for the preparation of said novel compounds.

Synthesis of 4-Hydroxy-N--2-methyl-2H-1,2-benzothiazine-3-carboxamide 1,1-Dioxide and oxoacetic Acid. Major Metabolites of Isoxicam

4-Hydroxy-N--2-methyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide (2), the major oxidative human metabolite of isoxicam (1), and oxoacetic acid (3), the major rat metabolite of isoxicam (1), were synthesized. 2 was synthesized by condensation of the known benzothiazine ester 8 with the isoxazolamine 9b. 9b was synthesized via a nine-step sequence starting with 5-methyl-3-isoxazolecarboxylic acid (14).NBS bromination of 14 gave 5-(bromomethyl)-3-isoxazolecarboxylic acid, which was coverted to the carbamate ester via a Curtius rearrangement of the acid azide.Displacement of bromine with silver acetate gave the acetoxy compound 21.Hydrolysis of 21 gave the unstable 3-isoxazolamine derivative 9a, which was converted to the OSiMe3 derivative 9b.The compound 3 was synthesized by reaction of ethyl oxalyl chloride with 5-methyl-3-isoxazolamine followed by base hydrolysis.