884-18-4

Basic information

• Product Name: 3-(1,3-benzodioxol-5-yl)-2-oxopropanoic acid
• CAS NO: 884-18-4
• Molecular Formula: C₁₀H₈O₅
• Molecular Weight: 208.1675
• Mol File: 884-18-4.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 375.5°C at 760 mmHg
• Flash Point: 153.5°C
• Density: 1.469g/cm³
• Vapor Pressure: 2.64E-06mmHg at 25°C
• Refractive Index: 1.595
• CAS DataBase Reference: 3-(1,3-benzodioxol-5-yl)-2-oxopropanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(1,3-benzodioxol-5-yl)-2-oxopropanoic acid(884-18-4)
• EPA Substance Registry System: 3-(1,3-benzodioxol-5-yl)-2-oxopropanoic acid(884-18-4)

Safety Data

• Hazardous Substances Data: 884-18-4(Hazardous Substances Data)

Upstream product

• 114929-69-0 3t-benzo[1,3]dioxol-5-yl-2-methoxy-acrylic acid 
• 41888-62-4 4-benzo[1,3]dioxol-5-ylmethylene-2-methyl-4H-oxazol-5-one 
• 112150-35-3 2-acetylamino-3-benzo[1,3]dioxol-5-yl-acrylic acid 
• 6412-89-1 2-phenyl-4-piperonyliden-4H-oxazol-5-one 
• 60470-83-9 2-methyl-4-(3,4-methylenedioxyphenylmethylene)-5(4H)-oxazolone 
• 120-57-0 piperonal 
• 52036-17-6 5-benzo[1,3]dioxol-5-ylmethylene-imidazolidine-2,4-dione 

Downstream Products

• 39829-17-9 benzo[1,3]dioxol-5-yl-pyruvic acid methyl ester 
• 2861-28-1 1,3-benzodioxole-5-acetic acid 
• 36069-61-1 4-benzo[1,3]dioxol-5-yl-1-(3,4-dimethyl-phenyl)-5-(2-hydroxy-3-methoxy-phenyl)-pyrrolidine-2,3-dione 
• 73820-45-8 2-(3,4-methylenedioxyphenyl)-5-oxo-1-hydroxycyclohexanecarboxylic acid 
• 117530-88-8 6-Benzo[1,3]dioxol-5-ylmethyl-4-phenyl-2H-[1,2,4]triazine-3,5-dione 
• 117530-79-7 6-Benzo[1,3]dioxol-5-ylmethyl-4-phenyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one 
• 850543-88-3 (8aS)-3-benzo[1,3]dioxol-5-ylmethyl-2-[2-(3,4-dimethoxy-phenyl)-ethyl]-3-hydroxy-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione 
• 202651-05-6 6-Benzo[1,3]dioxol-5-ylmethyl-3-mercapto-4-{[1-p-tolyl-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazin-5-one 
• 202651-06-7 6-Benzo[1,3]dioxol-5-ylmethyl-3-mercapto-4-{[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazin-5-one 
• 117530-82-2 6-Benzo[1,3]dioxol-5-ylmethyl-3-methylsulfanyl-4-phenyl-4H-[1,2,4]triazin-5-one 
• 117530-85-5 4-Amino-6-benzo[1,3]dioxol-5-ylmethyl-3-phenylamino-4H-[1,2,4]triazin-5-one 
• 73034-22-7 cis-2-(3,4-methylenedioxyphenyl)-5-oxocyclohexanecarboxylic acid 
• 93397-02-5 6-Benzo[1,3]dioxol-5-yl-3-oxo-cyclohex-1-enecarboxylic acid 
• 93397-01-4 2-Benzo[1,3]dioxol-5-yl-5-oxo-cyclohex-1-enecarboxylic acid 

Relevant articles and documents

Synthesis, biological evaluation and molecular modeling studies of psammaplin A and its analogs as potent histone deacetylases inhibitors and cytotoxic agents

In this study, a concise synthetic method of psammaplin A was achieved from 3-bromo-4-hydroxybenzaldahyde and hydantoin through a four-step synthesis via Knoevenagel condensation, hydrolysis, oximation and amidation in 37% overall yield. A collection of novel psammaplin A analogs focused on the variations of substituents at the benzene ring and modifications at the oxime moiety were synthesized. Among all the synthesized compounds, 5d and 5e showed better HDAC inhibition than psammaplin A and comparable cytotoxicity against four cancer cell lines (PC-3, MCF-7, A549 and HL-60). Molecular docking and dynamics simulation revealed that (i) hydrogen atom of the oxime group interacts with Asp99 of HDAC1 through a water bridged hydrogen bond and (ii) a hydroxyl group is optimal attached on the para-position of benzene, interacting with Glu203 at the entrance to the active site tunnel.

Studies on arylmethyltriazinone derivatives-Part II. Synthesis and antifungal properties of 2-aminomethyl-4-(arylidene)amino-6-arylmethyl-3-mercapto-1, 2,4-triazin-5(4H)-ones

The preparation of twenty new 2-aminomethyl-4-(arylidene)amino-6-arylmethyl-3-mercapto-1,2,4-triazin-5(4H)- ones(4) is described. The structural elucidation of all the compounds is carried out on the basis of analytical and spectral data. The newly synthesized compounds are evaluated for their antifungal activity against Candida albicans and Paecileomyces variotti.

Synthesis, reactions and biological evaluation of some 1,2,4-triazine derivatives

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