98572-00-0

Basic information

• Product Name: (S)-2-(Hydroxymethyl)-1,4-benzodioxane
• Synonyms: (S)-2-(Hydroxymethyl)-1,4-benzodioxane;(S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol
• CAS NO: 98572-00-0
• Molecular Formula: C₉H₁₀O₃
• Molecular Weight: 166.17
• Mol File: 98572-00-0.mol
• Article Data: 41

Chemical Properties

• Melting Point: 74-74.5 °C
• Boiling Point: 281.142 °C at 760 mmHg
• Flash Point: 123.831 °C
• Appearance: /
• Density: 1.214 g/cm³
• Storage Temp.: 2-8°C
• PKA: 13.98±0.10(Predicted)
• CAS DataBase Reference: (S)-2-(Hydroxymethyl)-1,4-benzodioxane(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-2-(Hydroxymethyl)-1,4-benzodioxane(98572-00-0)
• EPA Substance Registry System: (S)-2-(Hydroxymethyl)-1,4-benzodioxane(98572-00-0)

Safety Data

• Hazardous Substances Data: 98572-00-0(Hazardous Substances Data)

Usage

General Description

(S)-2-(Hydroxymethyl)-1,4-benzodioxane, also known as Safrole, is a colorless or slightly yellow oily liquid that is used primarily as a precursor in the synthesis of the recreational drug MDMA, also known as Ecstasy. It is naturally found in the sassafras plant and has a sweet, spicy aroma. Safrole is a potentially harmful chemical, as it has been shown to be carcinogenic and mutagenic in animal studies. Due to its toxic properties and its use in the illegal drug trade, the use and production of Safrole are heavily regulated in many countries. Despite its potential risks, Safrole has also been studied for its potential medicinal properties, including its antioxidant and antimicrobial effects.

Upstream product

• 10001-78-2 (S)-2-Butylamino-1-(R)-2,3-dihydro-benzo[1,4]dioxin-2-yl-ethanol 
• 108-05-4 vinyl acetate 
• 3663-82-9 2-hydroxymethyl-2,3-dihydrobenzo[1,4]dioxin 
• 4739-94-0 ethyl 2,3-dihydro-1,4-benzodioxin-2-carboxylate 
• 650597-66-3 (R)-methyl 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylate 
• 3663-79-4 methyl 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylate 
• 62501-71-7 (S)-2-benzyloxymethyl-2,3-dihydrobenzodioxane 
• 533-58-4 2-Iodophenol 
• 95-56-7 2-hydroxybromobenzene 
• 90-02-8 salicylaldehyde 
• 367-12-4 2-fluorophenol 
• 120-80-9 benzene-1,2-diol 
• 122833-65-2 benzo[b][1,4]dioxin-2-ylmethanol 
• 1616377-81-1 (S)-2-cyano-1,4-benzodioxane 

Downstream Products

• 62501-70-6 (R)-(2,3-dihydrobenzo[b][1,4] dioxin-2-yl)methyl 4-methylbenzenesulfonate 
• 104874-86-4 (S)-doxazosin 
• 70918-53-5 (+)-(2R)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid 
• 1219800-50-6 (R)-tert-butyl 4-(2,3-dihydrobenzo[b][1,4]dioxine-2-carbonyl)piperazine-1-carboxylate 
• 860173-98-4 (R)-N-(1,4-benzodioxan-2-carbonyl)piperazine 
• 104874-86-4 (R)-doxazosin 
• 77133-43-8 (S)-WB-4101 
• 187543-59-5 (R)-7-methyl-1,4-benzodioxan-2-ylmethyl 4-toluenesulphonate 
• 46049-49-4 (S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamine 
• 119746-78-0 (S)-2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-(2-{[(S)-1-(2,3-dihydro-benzo[1,4]dioxin-2-yl)methyl]-methyl-amino}-ethyl) ester 5-methyl ester 
• 119746-74-6 (R)-2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-(2-{[(S)-1-(2,3-dihydro-benzo[1,4]dioxin-2-yl)methyl]-methyl-amino}-ethyl) ester 5-methyl ester 
• 115649-80-4 (-)-Spiroxatrine 
• 62501-73-9 (2S)-2-(hydroxymethyl)-1,4-benzodioxan tosylate 
• 1142953-55-6 (R)-2-(bromomethyl)-2,3-dihydrobenzo [b][1,4] dioxine 

Relevant articles and documents

Lipase-catalyzed kinetic resolution of (±)-2-hydroxymethyl-1,4-benzodioxane

The title compound has been kinetically resolved in a lipase-catalyzed transesterification with vinyl acetae in organic solvents. The influence of the enzyme source as well as the character of the solvent on the enantioselectivity has been studied.

Method for synthesizing optically pure 2-hydroxymethyl-1,4-benzodioxin and derivatives of optically pure 2-hydroxymethyl-1,4-benzodioxin

The invention discloses a method for synthesizing optically pure 2-hydroxymethyl-1,4-benzodioxin and derivatives of the optically pure 2-hydroxymethyl-1,4-benzodioxin. The method comprises the steps that cheap 2-bromophenol or derivatives of the 2-bromoph

Preparation method of 1,4-benzdioxan-2-formic acid

The invention provides a preparation method of 1,4-benzdioxan-2-formic acid. The preparation method comprises the following steps: by taking benzylodiglycidyl ether and o-halogen phenol as raw materials, performing cyclization reaction, debenzylation reaction and oxidization reaction to obtain the 1,4-benzdioxan-2-formic acid. The preparation method provided by the invention is simple in reactionprocess; as the benzylodiglycidyl ether and the o-halogen phenol are used as the raw materials for reaction, no pollutants are produced, and no-irritative and no-allergic objects are produced; compared with other existing lines, the preparation method is environmentally friendly, high in total yield and favorable for mass production; the ee value of the finally prepared 1,4-benzdioxan-2-formic acid is more than or equal to 99 percent, and the chiral purity is high.