71095-26-6

Basic information

• Product Name: 1-(6-bromo-1,3-benzodioxol-5-yl)ethanone
• CAS NO: 71095-26-6
• Molecular Formula: C₉H₇BrO₃
• Molecular Weight: 243.0541
• Mol File: 71095-26-6.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 350.3°C at 760 mmHg
• Flash Point: 165.6°C
• Density: 1.638g/cm³
• Vapor Pressure: 4.44E-05mmHg at 25°C
• Refractive Index: 1.591
• CAS DataBase Reference: 1-(6-bromo-1,3-benzodioxol-5-yl)ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(6-bromo-1,3-benzodioxol-5-yl)ethanone(71095-26-6)
• EPA Substance Registry System: 1-(6-bromo-1,3-benzodioxol-5-yl)ethanone(71095-26-6)

Safety Data

• Hazardous Substances Data: 71095-26-6(Hazardous Substances Data)

Usage

Description

1-(6-bromo-1,3-benzodioxol-5-yl)ethanone is an organic chemical compound characterized by its molecular formula C9H7BrO3. It presents as a yellow to beige solid and is distinguished by its strong, sweet odor. 1-(6-bromo-1,3-benzodioxol-5-yl)ethanone is recognized for its significant role in the pharmaceutical and agrochemical industries, where it serves as a key intermediate in the synthesis of various drugs, pharmaceuticals, and potential therapeutic agents. Furthermore, its utility extends to the development of new chemical entities and its application as a pesticide intermediate, highlighting its multifaceted importance in the creation of novel drugs and agrochemicals with therapeutic and agricultural benefits.

Uses

Used in Pharmaceutical Industry:
1-(6-bromo-1,3-benzodioxol-5-yl)ethanone is used as a crucial intermediate in the synthesis of various drugs and pharmaceuticals for its ability to contribute to the development of new therapeutic agents.
Used in Development of New Chemical Entities:
1-(6-bromo-1,3-benzodioxol-5-yl)ethanone is utilized as a building block in the creation of new chemical entities with potential therapeutic use, showcasing its versatility and importance in the advancement of pharmaceutical research.
Used in Agrochemical Industry:
1-(6-bromo-1,3-benzodioxol-5-yl)ethanone is employed as a pesticide intermediate, indicating its potential applications in the field of agrochemicals for enhancing agricultural productivity and crop protection.

Upstream product

• 71095-27-7 1-(2′-bromo-4′,5′-methylenedioxyphenyl)ethan-1-ol 
• 15930-53-7 6-bromo-3,4-methylenedioxybenzaldehyde 
• 75-16-1 methylmagnesium bromide 

Downstream Products

• 3162-29-6 1-(benzo[d][1,3]dioxol-6-yl)ethanone 
• 79422-58-5 1-(6'-Acetyl-[5,5']bi[benzo[1,3]dioxolyl]-6-yl)-ethanone 
• 69138-98-3 2-<2''-(2''-methyl-1'',3''-oxathiolane)>-4,5-methylenedioxy-4',5',6'-trimethoxy-1,1'-biphenyl-2'-carboxaldehyde 
• 69138-99-4 dimethyl 2-<2''-(2''-methyl-1'',3''-oxathiolane)>-4,5-methylenedioxy-4',5',6'-trimethoxy-1,1'-biphenyl-2'-β-methylenemalonate 
• 41451-68-7 (+/-)-steganacin 
• 73252-63-8 2-<2''-(2''-methyl-1'',3''-dithianyl)>-4,5-methylenedioxy-4',5',6'-trimethoxy-1,1'-biphenyl-2'-carboxaldehyde 
• 69139-00-0 dimethyl 2-acetyl-4,5-methylenedioxy-4',5',6'-trimethoxy-1,1'-biphenyl-2'-β-methylenemalonate 
• 73252-69-4 dimethyl 2-<1'-(2'-acetyl-4',5'-methylenedioxyphenyl)>-3,4,5-trimethoxybenzylmalonate 
• 73252-70-7 dimethyl 2-<1'-(2'-bromoacetyl-4',5'-methylenedioxyphenyl)>-3,4,5-trimethoxybenzylmalonate 
• 69174-44-3 Cyclohexyl-[1-{3,4,5-trimethoxy-2-[6-(2-methyl-[1,3]oxathiolan-2-yl)-benzo[1,3]dioxol-5-yl]-phenyl}-meth-(Z)-ylidene]-amine 
• 41451-71-2 (+/-)-episteganol 
• 41451-71-2 (+/-)-steganol 
• 1233979-75-3 (Z)-N'-[1-(6-bromobenzo[d][1,3]dioxol-5-yl)ethylidene]-4-methylbenzenesulfonohydrazide 
• 1233979-81-1 3-methyl-1-(p-tolylsulfonyl)-[1,3]dioxolo[4,5-f]indazole 

Relevant articles and documents

α-Oxocarboxylic Acids as Three-Carbon Insertion Units for Palladium-Catalyzed Decarboxylative Cascade Synthesis of Diverse Fused Heteropolycycles

A novel palladium-catalyzed decarboxylative cascade cyclization for the assembly of diverse fused heteropolycycles by employing α-oxocarboxylic acids as three-carbon insertion units is reported. This protocol enables the synthesis of isoquinolinedione- and indolo[2,1-a]isoquinolinone-fused benzocycloheptanones in moderate to good yields by the use of different aryl iodides, including alkene-tethered 2-iodobenzamides and 2-(2-iodophenyl)-1H-indoles. Notably, the approach achieves simultaneous construction of both six- and seven-membered rings via sequential intramolecular carbopalladation, C-H activation, and decarboxylation.

Metal-free visible light-promoted synthesis of isothiazoles: A catalytic approach for N-S bond formation from iminyl radicals under batch and flow conditions

A sustainable synthesis of isothiazoles has been developed using an α-amino-oxy acid auxiliary and applying photoredox catalysis. This simple strategy features mild conditions, broad scope and wide functional group tolerance representing a new enviromenta

PdII-Catalyzed Oxidative Tandem aza-Wacker/Heck Cyclization for the Construction of Fused 5,6-Bicyclic N,O-Heterocycles

A PdII-catalyzed oxidative tandem cyclization was developed for the construction of fused 5,6-bicyclic N, O-heterocycles. This reaction was enabled by the combined use of a 3-methylpyridine ligand and pentafluorobenzoic acid additive. A range of heterocyclic products with different substituents could be prepared in moderate to good yields via this methodology. Several transformations, including a scaled-up preparation of product 2 a, were also carried out showing the good applicability of our methodology.