57684-71-6

Basic information

• Product Name: 3-(CHLOROMETHYL)ISOXAZOLE
• Synonyms: 3-(CHLOROMETHYL)ISOXAZOLE;AKOS BBS-00002879;ISOXAZOLE, 3-(CHLOROMETHYL)-;3-(chloroMethyl)-1,2-oxazole;3-isoxazolylMethyl chloride
• CAS NO: 57684-71-6
• Molecular Formula: C₄H₄ClNO
• Molecular Weight: 117.53
• Mol File: 57684-71-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 200.1°C at 760 mmHg
• Flash Point: 74.8°C
• Appearance: /
• Density: 1.261g/cm³
• Vapor Pressure: 0.467mmHg at 25°C
• Refractive Index: 1.478
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• PKA: -3.04±0.50(Predicted)
• CAS DataBase Reference: 3-(CHLOROMETHYL)ISOXAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(CHLOROMETHYL)ISOXAZOLE(57684-71-6)
• EPA Substance Registry System: 3-(CHLOROMETHYL)ISOXAZOLE(57684-71-6)

Safety Data

• Hazardous Substances Data: 57684-71-6(Hazardous Substances Data)

Usage

General Description

3-(Chloromethyl)isoxazole is a chemical compound with the molecular formula C4H4ClNO. It is an organochlorine compound that contains a five-membered ring with oxygen and nitrogen atoms. 3-(CHLOROMETHYL)ISOXAZOLE is used in the synthesis of various pharmaceuticals and agrochemicals, and is also utilized as an intermediate in organic synthesis. 3-(Chloromethyl)isoxazole has potential applications in the pharmaceutical industry due to its ability to form diverse interactions with biological macromolecules, making it a valuable building block in drug discovery processes. Additionally, its versatile reactivity and functional group compatibility make it an important intermediate in the production of various fine chemicals and specialty materials.

InChI:InChI=1/C4H4ClNO/c5-3-4-1-2-7-6-4/h1-2H,3H2

Upstream product

• 89102-73-8 3-hydroxymethyl isoxazole 
• 15787-79-8 chloromethyl β-chlorovinyl ketone 

Downstream Products

• 131052-58-9 isoxazol-3-ylmethanamine 
• 872788-70-0 3-iodomethyl-isoxazole 
• 76632-20-7 3-(bromomethyl)-1,2-oxazole 
• 99071-59-7 N-isoxazol-3-ylmethyl-aniline 
• 855741-77-4 diethyl-isoxazol-3-ylmethyl-amine 
• 55242-83-6 2-(isoxazol-3-yl)acetonitrile 

Relevant articles and documents

Chemical synthesis method of 3-isoxazolyl benzyl acetate

The invention discloses a chemical synthesis method of 3-isoxazolyl benzyl acetate. The chemical synthesis method comprises the following steps: S1, carrying out addition reaction through butene nitrile and bromine gas and generating 3-amino-5-methylisoxazole in the presence of a hydroxylamine derivative; S2, preparing 3-amino-5-methylisoxazole into diazonium salt under low temperature under the action of catalysis, carrying out substitution reaction on the diazonium salt in a hydrochloric acid environment, substituting amino and preparing 3,5-dimethylisooxazole, carrying out demethylation andpreparing 3-chloromethylisoxazole; and S3, adding 3-chloromethylisoxazole and cuprous cyanide into an organic solvent which is dimethyl sulfoxide, reacting and preparing 3-isooxazole acetonitrile. According to the chemical synthesis method of 3-isoxazolyl benzyl acetate, the raw materials are products obtained by directly cracking petroleum; production is carried out by five steps of addition, catalysis, substitution, hydrolysis and esterification; the reaction is rapid; when 3-chloromethylisoxazole as an intermediate is prepared, the yield reaches up to 75%; the production yield is ensured.

Quinazoline derivatives possessing anti-tumor activity

The invention relates to quinazoline derivatives, or pharmaceutically-acceptable salts thereof, which possess anti-tumor activity; to processes for their manufacture; and to pharmaceutical compositions containing them. The invention provides a quinazoline of the formula: STR1 wherein R1 is hydrogen or amino, or alkyl or alkoxy each of up to 6 carbon atoms; or R1 is substituted alkyl or alkoxy each of up to 3 carbon atoms; R2 is hydrogen, alkyl, alkenyl, alkynyl, hydroxyalkyl, halogenoalkyl or cyanoalkyl each of up to 6 carbon atoms; Ar is phenylene or heterocyclene; L is a group of the formula --CO.NH--, --NH.CO--, --CO.NR3 --, --NR3. CO--, --CH=CH--, --CH2 O--, --OCH2, --CH2 S--, --SCH2 --, --CO.CH2 --, --CH2.CO-- or --CO.O--, wherein R3 is alkyl of up to 6 carbon atoms; and Y is aryl or heteroaryl or a hydrogenated derivative thereof: or Y is a group of the formula --A--Y1 in which A is alkylene, cycloalkylene, alkenylene or alkynylene each of up to 6 carbon atoms and Y1 is aryl or heteroaryl or a hydrogenated derivative thereof; or a pharmaceutically-acceptable salt thereof.