Chemicals  3,4-methylenedioxyphenyl-2-propanone
3,4-methylenedioxyphenyl-2-propanone

CAS number [4676-39-5]





Identifiers

Molecular formula C10H10O3
CAS number [4676-39-5]
SMILES CC(=O)Cc1ccc2OCOc2c1
Properties
Molar mass 178.185 g/mol      

3,4-methylenedioxy-phenyl-2-propanoneis a chemical compound consisting of phenylacetone substituted with a methylenedioxy functional group.

It is a chemical precursor of MDA, MDMA (more commonly known as "Ecstasy" or "XTC"), MDEA and related chemicalsMDP2P is most commonly synthesized by oxidizing the plant oil safrole or its isomer isosafrole using the Wacker oxidation or peroxyacid oxidation.

3,4-methylenedioxyphenyl)-2-propanone (MDP-2-P or PMK) was prepared by two different routes, i.e. by oxidizing isosafrole in an acid medium and by 1-(3,4-methylenedioxyphenyl)-2-nitropropene reduction.

The final product-MDP-2-P was subjected to GC/MS analysis.

The intermediates and reaction by-products were identified and the ‘route specific’ impurities were established.

3,4-methylenedioxyphenyl)butan-2-amine (MDP-2-MB, MBDB) is a new homologue of N-methyl-1-(3,4-methylenedioxyphenyl)propan-2-amine (MDMA), which is strictly controlled as a narcotic.

As part of our continuous survey on illegal designer drugs in the Japanese market, we found that N-methyl-4-(3,4-methylenedioxyphenyl)butan-2-amine (MDP-3-MB, HMDMA) was being sold as MBDB.

As this is the first time that HMDMA has been revealed to be in market distribution, and its physico-chemical data is thus far unreported, we describe the structure elucidation of HMDMA and comparative analysis with related compounds.

The impurity profiles were obtained by means of GC/MS, some reaction by-products were identified by means of the EI mass spectra including low energy EI mass spectra and ‘route specific’ impurities were established. 4-Methyl-5-(3,4-methylenedioxyphenyl)-[1,3]dioxolan-2-one (compound 22, Table 2), N-methyl-2-methoxy-1-methyl-2-(3,4-methylenedioxyphenyl)-ethaneamine (compound 18, Table 2), 3-methyl-6,7-methylenedioxyisoquinoline-1,4-dione (compound 15, Table 1) and N-cyclohexyloacetamide (compound 3, Table 1) were found to be the synthesis markers of greatest importance.                    
 

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