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5394-59-2,MFCD00020537
Catalog No.:AA00DBFW

5394-59-2 | 4-(2,5-Dimethylphenyl)-4-oxobutanoic acid

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100mg
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$58.00   $41.00
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250mg
97%
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$95.00   $67.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DBFW
Chemical Name:
4-(2,5-Dimethylphenyl)-4-oxobutanoic acid
CAS Number:
5394-59-2
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD00020537
SMILES:
Cc1ccc(cc1C(=O)CCC(=O)O)C
Properties
Computed Properties
 
Complexity:
247  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
1.8  

Downstream Synthesis Route

[1]Mahmoodi;Jazayri[SyntheticCommunications,2001,vol.31,#10,p.1467-1475]

[2]Mohile,SwapnilS.;Potdar,MaheshK.;Salunkhe,ManikraoM.[JournalofChemicalResearch-PartS,2003,#10,p.650-651]

[3]Boberg,Friedrich;Jachiewicz,Adam;Garming,Alfons[Phosphorus,SulfurandSiliconandtheRelatedElements,1992,vol.72,#1-4,p.1-12]

[4]Sakai,Norio;Kobayashi,Taichi;Ogiwara,Yohei[ChemistryLetters,2015,vol.44,#11,p.1503-1505]

[5]Khalaf,AliA.;Abdel-Wahab,Aboel-MagdA.;El-Khawaga,AhmedM.;El-Zohry,MaherF.[BulletindelaSocieteChimiquedeFrance,1984,vol.2,#7-8,p.285-291]

[6]Alazet,Sébastien;LeVaillant,Franck;Nicolai,Stefano;Courant,Thibaut;Waser,Jerome[Chemistry-AEuropeanJournal,2017,vol.23,#40,p.9501-9504]

[7]Khan;Siddiqui[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2000,vol.39,#8,p.614-619]

[8]Muhr[ChemischeBerichte,1895,vol.28,p.3215]

[9]Barnett;Sanders[JournaloftheChemicalSociety,1933,p.434,436]

[10]Jefferies,LatishaR.;Cook,SilasP.[OrganicLetters,2014,vol.16,#7,p.2026-2029]

[11]Partap,Sangh;Yar,MohammadShahar;Hassan,Md.Zaheen;Akhtar,Md.Jawaid;Siddiqui,AneesA.[ArchivderPharmazie,2017,vol.350,#10]

[12]Khisal,Subuhi;Mishra,Ravinesh;Partap,Sangh;Siddiqui,AnessAhmad;Yar,MohammadShahar[BioorganicChemistry,2020,vol.99]

[1]Claus[ChemischeBerichte,1887,vol.20,p.1375]

[1]Cocker,W.etal.[JournaloftheChemicalSociety,1960,p.2230-2242]

[1]Bisagni,E.etal.[BulletindelaSocieteChimiquedeFrance,1970,p.3023-3031]

Literature

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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