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54557-81-2,MFCD00168683
Catalog No.:AA00D9F5

54557-81-2 | 4-[3,4-(Ethylenedioxy)phenyl]-4-oxobutyric acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$47.00   $33.00
- +
1g
95%
in stock  
$112.00   $78.00
- +
5g
95%
in stock  
$411.00   $288.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00D9F5
Chemical Name:
4-[3,4-(Ethylenedioxy)phenyl]-4-oxobutyric acid
CAS Number:
54557-81-2
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
MDL Number:
MFCD00168683
SMILES:
OC(=O)CCC(=O)c1ccc2c(c1)OCCO2
Properties
Properties
 
Form:
Solid  
MP:
138 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
301  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  

Downstream Synthesis Route

[1]Iranietal.[JournaloftheUniversityofBombay,Science:PhysicalSciences,Mathematics,BiologicalSciencesandMedicine,1950,vol.18/5A,p.1,4]

[2]Saravanan,Perumal;Anbarasan,Pazhamalai[AdvancedSynthesisandCatalysis,2018,vol.360,#15,p.2894-2899]

54557-81-2    51433-48-8   
4-(2,3-dihydro-benzo1,4dioxin-6-yl)-4-semicarbazono-butyricacid 

[1]Iranietal.[JournaloftheUniversityofBombay,Science:PhysicalSciences,Mathematics,BiologicalSciencesandMedicine,1950,vol.18/5A,p.1,4]

54557-81-2   
5-(2,3-dihydro-benzo1,4dioxin-6-yl)-dihydro-furan-2-one 

[1]Harrak;Rosell;Daidone;Plescia;Schillaci;Pujol[BioorganicandMedicinalChemistry,2007,vol.15,#14,p.4876-4890]

[2]Iranietal.[JournaloftheUniversityofBombay,Science:PhysicalSciences,Mathematics,BiologicalSciencesandMedicine,1950,vol.18/5A,p.1,4]

54557-81-2   
4-(2,3-dihydro-benzo1,4dioxin-6-yl)-4-hydroxyimino-butyricacid 

[1]Iranietal.[JournaloftheUniversityofBombay,Science:PhysicalSciences,Mathematics,BiologicalSciencesandMedicine,1950,vol.18/5A,p.1,4]

54557-81-2   
4-(2,3-dihydro-benzo1,4dioxin-6-yl)-4-oxo-butyricacidmethylester 

[1]Iranietal.[JournaloftheUniversityofBombay,Science:PhysicalSciences,Mathematics,BiologicalSciencesandMedicine,1950,vol.18/5A,p.1,4]

Literature

Title: Synthesis and biological activity of new anti-inflammatory compounds containing the 1,4-benzodioxine and/or pyrrole system.

Journal: Bioorganic & medicinal chemistry 20070715

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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Tags:54557-81-2 Molecular Formula|54557-81-2 MDL|54557-81-2 SMILES|54557-81-2 4-[3,4-(Ethylenedioxy)phenyl]-4-oxobutyric acid