30418-53-2

Basic information

• Product Name: 1'-oxosafrole
• Synonyms: 1'-oxosafrole;1-(1,3-Benzodioxol-5-yl)-2-propen-1-one;1'-Ketosafrole;3,4-Methylenedioxyphenylvinyl ketone;5-Acryloyl-1,3-benzodioxole
• CAS NO: 30418-53-2
• Molecular Formula: C₁₀H₈O₃
• Molecular Weight: 176.17
• Mol File: 30418-53-2.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 303.2°Cat760mmHg
• Flash Point: 128.1°C
• Appearance: /
• Density: 1.225g/cm³
• Vapor Pressure: 0.000946mmHg at 25°C
• Refractive Index: 1.564
• CAS DataBase Reference: 1'-oxosafrole(CAS DataBase Reference)
• NIST Chemistry Reference: 1'-oxosafrole(30418-53-2)
• EPA Substance Registry System: 1'-oxosafrole(30418-53-2)

Safety Data

• Hazardous Substances Data: 30418-53-2(Hazardous Substances Data)

Usage

Relation

Closely related to safrole

Common sources

Essential oils of plants such as sassafras and nutmeg

Uses

Synthesis of various pharmaceuticals and organic compounds

Classification

Potential carcinogen

Health risks

Can cause liver damage and cancer in laboratory animals, restricted in certain EU countries due to potential toxic effects

DNA damage

Can induce DNA damage

Cell cycle progression

Can disrupt cell cycle progression

Human health concern

Yes

InChI:InChI=1/C10H8O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h2-5H,1,6H2

Upstream product

• 274-09-9 Methylenedioxybenzene 
• 4244-59-1 methoxypropionyl chloride 
• 814-68-6 acryloyl chloride 
• 94-59-7 1-allyl-3,4-methylenedioxybenzene 
• 5208-87-7 1'-hydroxysafrole 
• 1826-67-1 vinyl magnesium bromide 
• 147030-72-6 benzo[1,3]dioxole-5-carboxylic acid methoxymethylamide 
• 120-57-0 piperonal 
• 50-00-0 formaldehyd 
• 3162-29-6 1-(benzo[d][1,3]dioxol-6-yl)ethanone 
• 306935-39-7 4,4,4-trifluoro-1-(benzo[1,3]dioxol-5-yl)-1,3-butanedione 
• 92994-39-3 2-(3,4-methylenedioxybenzoyl)-1-methyl-1H-imidazole 

Downstream Products

• 1146191-58-3 C₂₀H₂₅NO₃ 

Relevant articles and documents

A catalytic enantioselective total synthesis of (-)-Wodeshiol

(formula presented) (-)-Wodeshiol of >99% ee has been synthesized from the α,β-enone shown using a number of noteworthy steps including a novel C-C coupling reaction.

Generation of α-Boryl Radicals and Their Conjugate Addition to Enones: Transition-Metal-Free Alkylation of gem-Diborylalkanes

A transition-metal-free method for the alkylation of gem-diborylalkanes with α,β-unsaturated ketones has been developed. It is demonstrated that the α-boryl radicals can be generated efficiently from gem-diborylalkanes with the aid of catechol and oxidants. The α-boryl radicals formed through such process can be engaged in conjugate addition reaction with α,β-unsaturated ketones. This transformation is a straightforward method for the synthesis of γ-borylketones.

Mild Darzens Annulations for the Assembly of Trifluoromethylthiolated (SCF3) Aziridine and Cyclopropane Structures

We report mild new annulation approaches to trisubstituted trifluoromethylthiolated (SCF3) aziridines and cyclopropanes via Darzens inspired protocols. The products of these anionic annulations, rarely studied previously, possess attractive features rendering them valuable building blocks for synthesis platforms. In this study, trisubstituted acetophenone nucleophiles bearing SCF3 and bromine substituents in their α position were shown to undergo [2 + 1] annulations with vinyl ketones and tosyl-protected imines under mild reaction conditions.