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3990-05-4,MFCD07186258
Catalog No.:AA003ACF

3990-05-4 | Ethyl 7-oxoheptanoate

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Purity
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Price(USD)
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100mg
95%
in stock  
$79.00   $55.00
- +
250mg
95%
in stock  
$128.00   $90.00
- +
1g
95%
in stock  
$319.00   $224.00
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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:
AA003ACF
Chemical Name:
Ethyl 7-oxoheptanoate
CAS Number:
3990-05-4
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD07186258
SMILES:
O=CCCCCCC(=O)OCC
Properties
Computed Properties
 
Complexity:
132  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
8  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Clark;Schenck[ArchivesofBiochemistry,1952,vol.40,p.270,273]

[2]Bergson,G.;Frisell,C.[ActaChemicaScandinavica(1947),1964,vol.18,p.2000-2001]

[3]Shukla,Krupa;Ferraris,DanaV.;Thomas,AjitG.;Stathis,Marigo;Duvall,Bridget;Delahanty,Greg;Alt,Jesse;Rais,Rana;Rojas,Camilo;Gao,Ping;Xiang,Yan;Dang,ChiV.;Slusher,BarbaraS.;Tsukamoto,Takashi[JournalofMedicinalChemistry,2012,vol.55,#23,p.10551-10563]

[4]CurrentPatentAssignee:ABBOTTLABORATORIESINC-US2617808,1951,A

[1]Ballini;Marcantoni;Petrini[SyntheticCommunications,1991,vol.21,#8-9,p.1075-1081]

[2]CurrentPatentAssignee:REVISIONTHERAPEUTICS-WO2009/70693,2009,A2Locationinpatent:Page/Pagecolumn44-45

[3]Kreile,D.R.;Sile,D.E.;Eglite,D.Ya.;Shatts,V.D.;Slavinskaya,V.A.[JournalofappliedchemistryoftheUSSR,1980,vol.53,#5,p.920-922][ZhurnalPrikladnoiKhimii(Sankt-Peterburg,RussianFederation),1980,vol.53,#5,p.1160-1163]

[4]Nikitjuka,Anna;Shestakova,Irina;Romanchikova,Nadezhda;Jirgensons,Aigars[ChemistryofHeterocyclicCompounds,2015,vol.51,#7,p.647-657][Khim.Geterotsikl.Soedin.,2015,vol.51,#7,p.647-657,11]

3990-05-4    39741-81-6   
7,9-Undecadiensaeure-ethylester 

[1]Bestmann;Suess;Vostrowsky[LiebigsAnnalenderChemie,1981,vol.No.12,#12,p.2117-2138]

[1]Heterocycles,1982,vol.19,p.1285-1290

3990-05-4   
C4H7BrMg 
  109529-11-5 

[1]Vedejs,E.;Dent,W.H.;Gapinski,D.M.;McClureC.K.[JournaloftheAmericanChemicalSociety,1987,vol.109,#18,p.5437-5446]

Literature
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SDS
Tags:3990-05-4 Molecular Formula|3990-05-4 MDL|3990-05-4 SMILES|3990-05-4 Ethyl 7-oxoheptanoate