66411-55-0

Basic information

• Product Name: 1,3-Benzodioxole-4-carbonyl chloride (9CI)
• Synonyms: 1,3-Benzodioxole-4-carbonyl chloride (9CI);1,3-Benzodioxole4-carbonylchloride;2H-1,3-benzodioxole-4-carbonyl chloride;Benzo[d][1,3]dioxole-4-carbonyl chloride
• CAS NO: 66411-55-0
• Molecular Formula: C₈H₅ClO₃
• Molecular Weight: 184.5765
• Product Categories: ACIDHALIDE
• Mol File: 66411-55-0.mol
• Article Data: 8

Chemical Properties

• Melting Point: 112-114℃
• Boiling Point: 285.479°C at 760 mmHg
• Flash Point: 132.332°C
• Appearance: /
• Density: 1.453g/cm³
• Vapor Pressure: 0.003mmHg at 25°C
• Refractive Index: 1.587
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 1,3-Benzodioxole-4-carbonyl chloride (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Benzodioxole-4-carbonyl chloride (9CI)(66411-55-0)
• EPA Substance Registry System: 1,3-Benzodioxole-4-carbonyl chloride (9CI)(66411-55-0)

Safety Data

• Hazardous Substances Data: 66411-55-0(Hazardous Substances Data)

Usage

General Description

1,3-Benzodioxole-4-carbonyl chloride (9CI) is a chemical compound with the molecular formula C9H5ClO3. It is a colorless liquid with a strong, pungent odor. 1,3-Benzodioxole-4-carbonyl chloride (9CI) is commonly used in organic synthesis as a reagent for the preparation of various pharmaceuticals and agrochemicals. It is also used as an intermediate in the production of perfumes and flavorings. 1,3-Benzodioxole-4-carbonyl chloride (9CI) is known to be corrosive, and it can cause irritation to the skin, eyes, and respiratory system upon contact. Proper handling and storage procedures should be followed to ensure safe use of this chemical.

InChI:InChI=1/C8H5ClO3/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-3H,4H2

Upstream product

• 5768-39-8 benzo[1,3]dioxole-4-carboxylic acid 
• 2411-83-8 methyl-2,3-dihydroxybenzoate 
• 86-51-1 2,3-dimethyoxybenzaldehyde 
• 1521-38-6 2,3-dimethoxybenzoic acid 
• 303-38-8 2,3-Dihydroxybenzoic acid 

Downstream Products

• 7797-83-3 2H-benzo[d]1,3-dioxolane-4-carbaldehyde 
• 161886-19-7 benzo[1,3]dioxole-4-carbonitrile 
• 38489-70-2 2,3-(methylenedioxy)cinnamic acid 
• 1261963-95-4 C₂₁H₂₄N₂O₄ 
• 769-30-2 benzo[1,3]dioxol-4-yl-methanol 
• 76927-65-6 N⁴-Benzyl-N¹,N⁸-bis<2,3-(methylenedioxy)benzoyl>spermidine 
• 76927-63-4 N⁴--N¹,N⁸-bis<2,3-(methylenedioxy)benzoyl>spermidine 
• 76927-62-3 3-<(2,3-dihydroxybenzoylamino)propyl>-N-<4-(2,3-dihydroxy-benzoylamino)butyl>-2-hydroxybenzoyl-glycylamide 
• 76927-64-5 N⁴-Benzyl-N¹,N⁸-bis<2,3-(methylenedioxy)benzoyl>spermidine hydrochloride 
• 69151-39-9 NU 1034 

Relevant articles and documents

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.

SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES

A compound of Formula I is disclosed as follows: or a pharmaceutically acceptable salt, prodrug, solvate, or metabolite thereof, wherein R is hydrogen, P(═O)(OH)2, P(═O)(O(C1-C18)alkylene(C6-C20)aryl)2, P(═O)(OH)(OM), P(═O)(OM)2, P═O(O2M), S(═O)(OH)2, S(═O)(O(C1-C18)alkylene(C6-C20)aryl)2, S(═O)(OH)(OM), S(═O)(OM)2; M is a monovalent or divalent metal ion, or alkylammonium ion; W is (C6-C20)aryl, (C6-C20)heteroaryl, (C1-C18)alkyl(C6-C20)aryl, (C1-C18)alkyl(C6-C20)heteroaryl, hydroxy(C6-C20)aryl, hydroxy(C6-C20)heteroaryl, (C1-C18)alkoxy(C6-C20)aryl, (C1-C18)alkoxy(C6-C20)heteroaryl, (C1-C18)alkylenedioxy(C6-C20)aryl, (C1-C18)alkylenedioxy(C6-C20)heteroaryl, halo(C6-C20)aryl, halo(C6-C20)heteroaryl, (C1-C18)alkylamino(C6-C20)aryl, (C1-C18)alkylamino(C6-C20)heteroaryl, (C1-C18)cycloalkylamino(C6-C20)aryl, or (C1-C18)cycloalkylamino(C6-C20)heteroaryl, and their OR8 substutes; R5 is (C1-C18alkoxy, hydrogen, hydroxyl, O—(C1-C18)alkyl(C6-C20)aryl, halo or OR8, or R5 and R6 are (C1-C18)dioxy provided that R7 is hydrogen; R6 is hydroxyl, O—(C1-C18)alkyl(C6-C20)aryl, halo or ORR, (C1-C18)alkoxy, (C1-C18)alkylamino, or (C1-C18)cycloalkylamino, or R6 and R7 are (C1-C18)dioxy provided that R5 is hydrogen; R7 is hydrogen, halo or OR8, hydroxyl, or O—(C1-C18)alkyl(C6-C20)aryl; and R8 is P(═O)(OH)2, P(═O)(O(C1-C18)alkyl(C6-C20)aryl)2, P(═O)(OH)(OM), or P(═O)(OM)2, P═O(O2M).

Practical and chemoselective reduction of acyl chloride to alcohol by borohydride in aqueous dichloromethane

A simple methodology for the reduction of acid chlorides to their corresponding alcohols has been developed. Various carboxylic acids were converted to alcohols in excellent yields using NaBH4-K2CO3 in a mixed solvent system of dichloromethane and water (1:1) in the presence of a phase-transfer catalyst at low temperature. The importance of the work is its simplicity, selectivity, excellent yield, and very short reaction time. This new reduction condition has proved to be an excellent chemoselective method for a range of acid chlorides in the presence of various functional groups.