93439-37-3

Basic information

• Product Name: 6-CHLOROACETYL-1 4-BENZODIOXANE 97
• Synonyms: 6-CHLOROACETYL-1 4-BENZODIOXANE 97;Ethanone, 2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)- (9CI);2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;6-Chloroacetyl-1,4-benzodioxane 97%;2-Chloro-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone
• CAS NO: 93439-37-3
• Molecular Formula: C10H9ClO3
• Molecular Weight: 212.62966
• Product Categories: ACETYLHALIDE;Benzodioxanes;BenzodioxanesHeterocyclic Building Blocks;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks
• Mol File: 93439-37-3.mol

Chemical Properties

• Melting Point: 137-140 °C(lit.)
• Boiling Point: 358°C at 760 mmHg
• Flash Point: 161.2°C
• Appearance: /
• Density: 1.318g/cm³
• Vapor Pressure: 2.62E-05mmHg at 25°C
• Refractive Index: 1.556
• CAS DataBase Reference: 6-CHLOROACETYL-1 4-BENZODIOXANE 97(CAS DataBase Reference)
• NIST Chemistry Reference: 6-CHLOROACETYL-1 4-BENZODIOXANE 97(93439-37-3)
• EPA Substance Registry System: 6-CHLOROACETYL-1 4-BENZODIOXANE 97(93439-37-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 93439-37-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
6-CHLOROACETYL-1 4-BENZODIOXANE 97 is used as an intermediate in the synthesis of various pharmaceuticals for its potential applications in drug development.
Used in Agricultural Industry:
6-CHLOROACETYL-1 4-BENZODIOXANE 97 is used as an intermediate in the production of agrochemicals, contributing to the development of effective crop protection agents.

InChI:InChI=1/C10H9ClO3/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5H,3-4,6H2

Upstream product

• 2879-20-1 1,4-benzodioxan-6-yl methyl ketone 
• 493-09-4 benzo-1,4-dioxane 
• 79-04-9 chloroacetyl chloride 

Downstream Products

• 496024-23-8 2-((4-chlorophenyl)thio)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone 
• 1005960-87-1 4-((4-chlorophenyl)thio)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazole 
• 883096-19-3 2-((4-chlorophenyl)thio)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(dimethylamino)prop-2-en-1-one 

Relevant articles and documents

PROCESS FOR PREPARATION OF ELIGLUSTAT HEMITARTRATE AND INTERMEDIATES THEREOF

Process for preparation of eliglustat hemitartrate and intermediates thereof Processes for preparation of eliglustat hemitartrate and intermediates thereof are provided. A stable amorphous form of eliglustat hemitartrate pharmaceutical compositions includ

The α-chlorination of aryl methyl ketones under aerobic oxidative conditions

The novel reaction system air/ammonium nitrate/iodine/hydrochloric acid [air/NH4NO3(cat.)/I2(cat.)/HCl] is introduced as a simple, safe, cheap, efficient and regioselective mediator for the α-chlorination of aryl, heteroaryl and alkyl methyl ketones under aerobic oxidative conditions. The inventive use of a catalytic amount of iodine enabled the moderate to quantitative, regioselective chlorination of a comprehensive scope of different methyl ketone derivatives including those bearing oxidizable heteroatom (S, N) substituents, some of which possess declared potential biological and pharmaceutical activity. Air oxygen under a slight overpressure plays the role of the terminal oxidant catalytically activated by redox cycles of nitrogen oxides released from the catalytic amount of ammonium nitrate (NH4NO3) under acidic conditions of hydrochloric acid (HCl) and co-catalyzed by elemental iodine (I2), which was found to be essential for the high efficiency of the reaction system.