38871-41-9

Basic information

• Product Name: 2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBONYL CHLORIDE
• Synonyms: 2,3-Dihydrobenzo[1,4]dioxine-5-carbonyl chloride;2,3-dihydrobenzo[b][1,4]dioxine-5-carbonyl chloride;1,4-Benzodioxan-5-carbonyl chloride;2,3-Dihydro-1,4-benzodioxin-5-carbonyl chloride;2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBONYL CHLORIDE
• CAS NO: 38871-41-9
• Molecular Formula: C₉H₇ClO₃
• Molecular Weight: 198.6
• EINECS: 604-604-1
• Mol File: 38871-41-9.mol
• Article Data: 13

Chemical Properties

• Melting Point: 98 °C
• Boiling Point: 305.2°C at 760 mmHg
• Flash Point: 137.7°C
• Appearance: /
• Density: 1.371
• Vapor Pressure: 0.000835mmHg at 25°C
• Refractive Index: 1.566
• CAS DataBase Reference: 2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBONYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBONYL CHLORIDE(38871-41-9)
• EPA Substance Registry System: 2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBONYL CHLORIDE(38871-41-9)

Safety Data

• Hazard Codes: Xn
• Statements: 34-22
• Safety Statements: 26-36/37/39
• RIDADR: 3261
• Hazardous Substances Data: 38871-41-9(Hazardous Substances Data)

Usage

General Description

2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride is a chemical compound that is also known as Pd-catalyzed ortho-acylation reagents. It is a chlorinated carbonyl compound that contains a 1,4-benzodioxine ring system. 2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBONYL CHLORIDE is often used as a reagent in organic synthesis, particularly in the preparation of pharmaceutical compounds and other biologically active molecules. It is commonly utilized in the formation of carbon-carbon and carbon-heteroatom bonds, and has been studied for its potential applications in drug discovery and development. The compound is known for its ability to undergo transformations under mild reaction conditions, making it a versatile tool for chemical synthesis.

InChI:InChI=1/C9H7ClO3/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3H,4-5H2

Upstream product

• 4442-53-9 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid 
• 303-38-8 2,3-Dihydroxybenzoic acid 
• 2411-83-8 methyl-2,3-dihydroxybenzoate 
• 214894-91-4 2,3-dihydro-benzo[1,4]dioxine-5-carboxylic acid methyl ester 

Downstream Products

• 349550-81-8 2,3-dihydrobenzo[b][1,4]dioxine-5-carboxamide 
• 66411-50-5 N-(1-ethyl-2-pyrrolidylmethyl)-1,4-benzodioxane-5-carboxamide hydrochloride 
• 66411-12-9 N-(1-benzyl-4-piperidyl)-1,4-benzodioxane-5-carboxamide hydrochloride 
• 532391-79-0 C₂₂H₂₆N₂O₄ 
• 1400250-82-9 C₂₃H₁₇BrN₄O₃ 
• 1400250-84-1 C₂₃H₁₇ClN₄O₃ 
• 1092476-37-3 (R)-N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-methyl-1-piperazinyl)acetohydrazide 
• 1092476-36-2 (S)-N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-methyl-1-piperazinyl)acetohydrazide 
• 1092477-62-7 (+/-)-N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-methyl-1-piperazinyl)acetohydrazide 
• 274910-20-2 2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid 
• 1609584-26-0 2-((Z)-2-styryl-5-nitro-1H-imidazol-1-yl)ethyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate 
• 1609584-24-8 2-((Z)-2-(2-fluoro-6-chlorostyryl)-5-nitro-1H-imidazol-1-yl)ethyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate 
• 1609584-23-7 2-((Z)-2-(4-methoxystyryl)-5-nitro-1H-imidazol-1-yl)ethyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate 
• 1609584-22-6 2-((Z)-2-(3-methoxystyryl)-5-nitro-1H-imidazol-1-yl)ethyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate 

Relevant articles and documents

Heterocyclic compound and preparation and application thereof

The invention relates to bromodomain inhibitors, and provides a compound represented by a general formula I, a pharmaceutically acceptable salt, an enantiomer, a diastereoisomer, an atropisomer, a racemate, a polymorph, a solvate or an isotope-labeled compound (including deuterium substitution) thereof, a preparation method thereof, a pharmaceutical composition containing the same, and applicationthereof in pharmacy.

Palladium-Catalyzed Electrochemical C-H Bromination Using NH4Br as the Brominating Reagent

The palladium-catalyzed electrochemical C-H bromination of benzamide derivatives under divided cells is developed, in which NH4Br serves as a brominating reagent and electrolyte. The protocol avoids the use of chemical oxidants and provides an alternative method for the synthesis of aryl bromides.

Discovery of a Chemical Probe Bisamide (CCT251236): An Orally Bioavailable Efficacious Pirin Ligand from a Heat Shock Transcription Factor 1 (HSF1) Phenotypic Screen

Phenotypic screens, which focus on measuring and quantifying discrete cellular changes rather than affinity for individual recombinant proteins, have recently attracted renewed interest as an efficient strategy for drug discovery. In this article, we describe the discovery of a new chemical probe, bisamide (CCT251236), identified using an unbiased phenotypic screen to detect inhibitors of the HSF1 stress pathway. The chemical probe is orally bioavailable and displays efficacy in a human ovarian carcinoma xenograft model. By developing cell-based SAR and using chemical proteomics, we identified pirin as a high affinity molecular target, which was confirmed by SPR and crystallography.