5279-34-5

Basic information

• Product Name: 1,3-Benzodioxole, 5-(ethylthio)-
• Synonyms: 1,3-Benzodioxole, 5-(ethylthio)-;5-(Ethylthio)benzo[d][1,3]dioxole
• CAS NO: 5279-34-5
• Molecular Formula: C9H10O2S
• Molecular Weight: 182.2395
• Mol File: 5279-34-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 114 °C
• Appearance: /
• Density: 1.24±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 1,3-Benzodioxole, 5-(ethylthio)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Benzodioxole, 5-(ethylthio)-(5279-34-5)
• EPA Substance Registry System: 1,3-Benzodioxole, 5-(ethylthio)-(5279-34-5)

Safety Data

• Hazardous Substances Data: 5279-34-5(Hazardous Substances Data)

Usage

Category

Organic compound

Presence

Found in essential oils such as sassafras and nutmeg oil

Uses

a. Synthesis of fragrances and flavorings
b. Production of the drug MDMA

Toxicity

Potentially toxic and carcinogenic

Regulation

Subject to regulation and restriction in many countries

Legal status in the United States

Schedule I controlled substance

Food and Drug Administration (FDA) ruling

Banned for use in food and drinks

Health effects

Causes liver damage in animal studies

Prohibition

Banned as a food additive due to its health risks

Upstream product

• 110-81-6 Diethyl disulfide 
• 2635-13-4 1,2-(methylenedioxy)-4-bromobenzene 
• 75-08-1 ethanethiol 

Relevant articles and documents

Site-Selective C?S Bond Formation at C?Br over C?OTf and C?Cl Enabled by an Air-Stable, Easily Recoverable, and Recyclable Palladium(I) Catalyst

This report widens the repertoire of emerging PdI catalysis to carbon–heteroatom, that is, C?S bond formation. While Pd0-catalyzed protocols may suffer from the formation of poisonous sulfide-bound off-cycle intermediates and lack of selectivity, the mechanistically diverse PdI catalysis concept circumvents these challenges and allows for C?S bond formation (S–aryl and S–alkyl) of a wide range of aryl halides. Site-selective thiolations of C?Br sites in the presence of C?Cl and C?OTf were achieved in a general and a priori predictable fashion. Computational, spectroscopic, X-ray, and reactivity data support dinuclear PdI catalysis to be operative. Contrary to air-sensitive Pd0, the active PdI species was easily recovered in the open atmosphere and subjected to multiple rounds of recycling.