161886-19-7

Basic information

• Product Name: benzo[d][1,3]dioxole-4-carbonitrile
• Synonyms: benzo[d][1,3]dioxole-4-carbonitrile
• CAS NO: 161886-19-7
• Molecular Formula: C₈H₅NO₂
• Molecular Weight: 147.1308
• Mol File: 161886-19-7.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: benzo[d][1,3]dioxole-4-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: benzo[d][1,3]dioxole-4-carbonitrile(161886-19-7)
• EPA Substance Registry System: benzo[d][1,3]dioxole-4-carbonitrile(161886-19-7)

Safety Data

• Hazardous Substances Data: 161886-19-7(Hazardous Substances Data)

Usage

General Description

Benzo[d][1,3]dioxole-4-carbonitrile is a chemical compound with the molecular formula C9H5NO2. It is a derivative of benzo[d][1,3]dioxole, which is a fused heterocyclic compound consisting of a benzene ring fused to a 1,3-dioxole ring. The presence of the carbonitrile group in the molecule indicates that it contains a nitrile functional group (–C≡N). benzo[d][1,3]dioxole-4-carbonitrile may have potential applications in the pharmaceutical and chemical industries, as nitrile and dioxole derivatives are known to possess various biological and chemical properties. Further research and investigation into the properties and potential uses of benzo[d][1,3]dioxole-4-carbonitrile are needed to fully understand its capabilities and potential applications.

Upstream product

• 86-51-1 2,3-dimethyoxybenzaldehyde 
• 1521-38-6 2,3-dimethoxybenzoic acid 
• 303-38-8 2,3-Dihydroxybenzoic acid 
• 5768-39-8 benzo[1,3]dioxole-4-carboxylic acid 
• 66411-55-0 2,3-(Methylenedioxy)benzoyl chloride 
• 120276-77-9 2,3-methylenedioxybenzaldehyde oxime 
• 69151-39-9 NU 1034 

Downstream Products

• 7797-83-3 2H-benzo[d]1,3-dioxolane-4-carbaldehyde 
• 38489-70-2 2,3-(methylenedioxy)cinnamic acid 

Relevant articles and documents

Perrhenic acid-catalyzed dehydration from primary amides, aldoximes, N-monoacylureas, and α-substituted ketoximes to nitrile compounds

The dehydration reaction of primary amides is one of the most fundamental methods for the synthesis of nitriles, and the development of environmentally benign catalytic reaction processes is needed. We surveyed a variety of metal catalysts and found that perrhenic acid was extremely effective for the dehydration of not only primary amides but also aldoximes. Typically, 1 mol % of perrhenic acid gave the corresponding nitriles from amides or aldoximes under azeotropic reflux conditions with the removal of water in toluene or mesitylene. In addition, perrhenic acid is an extremely efficient catalyst for the Beckmann fragmentation of α-substituted ketoximes to functionalized nitriles. This new catalytic system can be applied to the gram-scale synthesis of nitriles without further modifications.

Selective cyclooxygenase-2 inhibitors: Heteroaryl modified 1,2-diarylimidazoles are potent, orally active antiinflammatory agents

A series of heteroaryl modified 1,2-diarylimidazoles has been synthesized and found to be potent and highly selective (1000-9000-fold) inhibitors of the human COX-2.3-Pyridyl derived COX-2 selective inhibitor (25) exhibited excellent activity in acute (carrageenan induced paw edema, ED50 = 5.4 mg/kg) and chronic (adjuvant induced arthritis, ED50 = 0.25 mg/kg) models of inflammation. The relatively long half-life of 25 in rat and dog prompted investigation of the pyridyl and other heteroaromatic systems containing potential metabolic functionalities. A number of substituted pyridyl and thiazole containing compounds (e.g., 44, 46, 54, 76, and 78) demonstrated excellent oral activity in every efficacy model evaluated. Several orally active diarylimidazoles exhibited desirable pharmacokinetics profiles and showed no GI toxicity in the rat up to 100 mg/kg in both acute and chronic models. The paper describes facile and practical syntheses of the targeted diarylimidazoles. The structure-activity relationships and antiinflammatory properties of a series of diarylimidazoles are discussed.