1364479-79-7

Basic information

• Product Name: dimethyl (2S)-2-({(2E)-3-[3,4-bis(acetyloxy)phenyl]prop-2-enoyl}oxy)butanedioate
• CAS NO: 1364479-79-7
• Molecular Weight: 408.362
• Mol File: 1364479-79-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: dimethyl (2S)-2-({(2E)-3-[3,4-bis(acetyloxy)phenyl]prop-2-enoyl}oxy)butanedioate(CAS DataBase Reference)
• NIST Chemistry Reference: dimethyl (2S)-2-({(2E)-3-[3,4-bis(acetyloxy)phenyl]prop-2-enoyl}oxy)butanedioate(1364479-79-7)
• EPA Substance Registry System: dimethyl (2S)-2-({(2E)-3-[3,4-bis(acetyloxy)phenyl]prop-2-enoyl}oxy)butanedioate(1364479-79-7)

Safety Data

• Hazardous Substances Data: 1364479-79-7(Hazardous Substances Data)

Upstream product

• 617-55-0 dimethyl (S)-malate 
• 82592-68-5 (E)-3,4-di-O-acetylcaffeoyl chloride 

Downstream Products

• 39015-77-5 Caffeoyl-L-malic acid 

Relevant articles and documents

An approach to the chemotaxonomic differentiation of two European Dog's mercury species: Mercurialis annua L. and M. perennis L.

Mercurialis annua and M. perennis are medicinal plants used in complementary medicine. In the present work, analytical methods to allow a chemotaxonomic differentiation of M. annua and M. perennis by means of chemical marker compounds were established. In addition to previously published compounds, the exclusive presence of pyridine-3-carbonitrile and nicotinamide in CH2Cl2 extracts obtained from the herbal parts of M. annua was demonstrated by GC/MS. Notably, pyridine-3-carbonitrile was identified for the first time as a natural product. Further chromatographic separation of the CH2Cl2 extracts via polyamide yielded a MeOH fraction exhibiting a broad spectrum of side-chain saturated n-alkylresorcinols. While the n-alkylresorcinol pattern was similar for both plant species, some specific differences were observed for particular n-alkylresorcinol homologs. Finally, the investigation of H2O extracts by LC/MS/MS revealed the presence of depside constituents. Whereas, in M. perennis, a mixture of mercurialis acid (=(2R)-[(E)-caffeoyl]-2-oxoglutarate) and phaselic acid (=(E)-caffeoyl-2-malate) could be detected, in M. annua solely phaselic acid was found. By comparison with synthesized enantiomerically pure (2R)- and (2S)-phaselic acids, the configuration of the depside could be determined as (2S) in M. annua and as (2R) in M. perennis.