| Identification | Back Directory | [Name]
3,4-DIHYDROXYPHENYLACETONE | [CAS]
2503-44-8 | [Synonyms]
3,4-DIHYDROXYPHENYLACETONE
3,4-dihydroxyphenylacetone 95%
1-(3,4-Dihydroxyphenyl)propan-2-one
1-(3,4-DIHYDROXYPHENYL)-2-PROPANONE
1-(3',4'-DIHYDROXYPHENYL)-2-PROPANONE
3,4-dihydroxyphenylacetone AldrichCPR
1-(3,4-Dihydroxyphenyl)-2-propanone
1-(3,4-dihydroxyphenyl)-2-propanone
| [Molecular Formula]
C9H10O3 | [MDL Number]
MFCD03093024 | [MOL File]
2503-44-8.mol | [Molecular Weight]
166.17 |
| Chemical Properties | Back Directory | [Melting point ]
-30 °C (decomp) | [Boiling point ]
170-173 °C(Press: 0.3 Torr) | [density ]
1.251±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C Freezer | [solubility ]
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) | [form ]
powder | [pka]
9.59±0.10(Predicted) | [color ]
White to Very Dark Brown | [Stability:]
Light Sensitive | [InChI]
InChI=1S/C9H10O3/c1-6(10)4-7-2-3-8(11)9(12)5-7/h2-3,5,11-12H,4H2,1H3 | [InChIKey]
JQXBETDGCMQLMK-UHFFFAOYSA-N | [SMILES]
C(C1=CC=C(O)C(O)=C1)C(=O)C | [CAS DataBase Reference]
2503-44-8 |
| Hazard Information | Back Directory | [Chemical Properties]
Thick Yellow Oil | [Uses]
A metabolite of 3,4-methylenedioxyethylamphetamine. | [Uses]
A metabolite of racemic 3,4-methylenedioxyethylamphetamine. | [Uses]
3',4'-Dihydroxyphenylacetone , MDMA, and α-methyldopa produced by oxidative deamination. This product is intended for forensic and research applications. | [Description]
3'',4''-Dihydroxyphenylacetone (Item No. 19522) is an analytical reference standard. It is a minor metabolite of 3,4-MDEA (Item Nos. 14085 | 15689), MDMA, and α-methyldopa produced by oxidative deamination.1,2,3 This product is intended for forensic and research applications. | [Definition]
ChEBI:3,4-Dihydroxyphenylacetone is an alkylbenzene. | [Production Methods]
3,4-dihydroxylphenylacetaldehyde (DHPAA) synthase catalyzes a complicated decarboxylation-deamination process of α-methyl dopa (AMD), leading to the production of 3,4-dihydroxyphenylacetone.
| [References]
[1] H. K. LIM R. L F. In vivo and in vitro metabolism of 3,4-(methylenedioxy)methamphetamine in the rat: identification of metabolites using an ion trap detector[J]. Chemical Research in Toxicology, 1988, 1 6: 370-378. DOI: 10.1021/tx00006a008
[2] H K ENSSLIN. Metabolism of racemic 3,4-methylenedioxyethylamphetamine in humans. Isolation, identification, quantification, and synthesis of urinary metabolites.[J]. Drug Metabolism and Disposition, 1996, 24 8: 813-820.
[3] MARIARITA BERTOLDI. Reaction of Dopa Decarboxylase with α-Methyldopa Leads to an Oxidative Deamination Producing 3,4-Dihydroxyphenylacetone, an Active Site Directed Affinity Label?[J]. Biochemistry Biochemistry, 1998, 37 18: 6552-6561. DOI: 10.1021/bi9718898 |
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