40340-41-8

Basic information

• Product Name: 5-(CHLOROMETHYL)-3-METHYLISOXAZOLE
• Synonyms: isoxazole, 5-(chloromethyl)-3-methyl-;5-(chloromethyl)-3-methylisoxazole(SALTDATA: FREE);5-(chloromethyl)-3-methyl-1,2-oxazole
• CAS NO: 40340-41-8
• Molecular Formula: C₅H₆ClNO
• Molecular Weight: 131.56
• Mol File: 40340-41-8.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 211.6 °C at 760 mmHg
• Flash Point: 81.8 °C
• Appearance: /
• Density: 1.202 g/cm³
• Vapor Pressure: 0.263mmHg at 25°C
• Refractive Index: 1.482
• Storage Temp.: 2-8°C
• PKA: -2.14±0.10(Predicted)
• CAS DataBase Reference: 5-(CHLOROMETHYL)-3-METHYLISOXAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(CHLOROMETHYL)-3-METHYLISOXAZOLE(40340-41-8)
• EPA Substance Registry System: 5-(CHLOROMETHYL)-3-METHYLISOXAZOLE(40340-41-8)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 40340-41-8(Hazardous Substances Data)

Usage

General Description

5-(chloromethyl)-3-methylisoxazole is a chemical compound with the molecular formula C5H6ClNO. It is a heterocyclic organic compound that contains a five-membered ring with oxygen and nitrogen atoms. 5-(CHLOROMETHYL)-3-METHYLISOXAZOLE is commonly used in the synthesis of pharmaceuticals and agrochemicals. Its chloromethyl group makes it a reactive compound that can undergo various chemical reactions to form new compounds. 5-(chloromethyl)-3-methylisoxazole is also used as a building block in the synthesis of a variety of other organic compounds, making it a versatile and important chemical in the field of organic chemistry.

InChI:InChI=1/C5H6ClNO/c1-4-2-5(3-6)8-7-4/h2H,3H2,1H3

Upstream product

• 78-88-6 2,3-Dichloroprop-1-ene 
• 683-58-9 acetohydroximoyl chloride 
• 615-79-2 ethyl 2,4-diketopentanoate 
• 63366-79-0 3-methylisoxazole-5-carboxylic acid ethyl ester 
• 5780-37-0 (E)-acetaldoxime 
• 624-65-7 2-propynyl chloride 
• 107-29-9 Acetaldehyde oxime 
• 54813-96-6 (Z)-4,5-dichloro-pent-3-en-2-one 
• 14716-89-3 3-methyl-5-isoxazolemethanol 

Downstream Products

• 105829-37-6 N-(3-methyl-5-isoxazolyl)methylethylenediamine 
• 1192476-96-2 N-cyclohexylmethyl-2-(6-methoxy-1H-indol-3-yl)-N-(3-methylisoxazol-5-ylmethyl)-2-oxoacetamide 

Relevant articles and documents

Simple one-pot synthesis of 5-(chloromethyl)isoxazoles from aldoximes and 2,3-dichloro-1-propene

[Figure not available: see fulltext.] A one-pot synthesis of 3-substituted 5-chloromethylisoxazoles from available starting aldoximes and 2,3-dichloro-1-propene, serving both as a solvent and reagent, is proposed. Excess 2,3-dichloro-1-propene is recovered after the reaction. The synthesis is effective for oximes of both aromatic and aliphatic aldehydes.

Synthesis and biological evaluation of N-heterocyclic indolyl glyoxylamides as orally active anticancer agents

A series of N-heterocyclic indolyl glyoxylamides were synthesized and evaluated for in vitro and in vivo anticancer activities. They exhibited a broad spectrum of anticancer activity not only in murine leukemic cancer cells but also in human gastric, breast, and uterus cancer cells as well as their multidrug resistant sublines with a wide range of IC50 values. They also induced apoptosis and caused DNA fragmentation in human gastric cancer cells. Among the compounds studied, 7 showed the most potent activity of growth inhibition (IC50 17-1711 nM) in several human cancer cells. Given orally, compounds 7 and 13 dose-dependently prolonged the survival of animals inoculated with P388 leukemic cancer cells. N-Heterocyclic indolyl glyoxylamides may be useful as orally active chemotherapeutic agents against cancer and refractory cancerous diseases of multidrug resistance phenotype.

Extractant for selectively extracting strontium from aqueous solution containing the same

An extractant for selectively extracting strontium from an aqueous solution containing the same, which comprises a 1,2-benzenebis(1,4-dioxanonyl-6,8-dionato)metal complex of the following structural formula: STR1 wherein M represents a metal ion of Cu (II), Zn (II) or Ni (II).