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62936-31-6,MFCD01319625
Catalog No.:AA00EEAG

62936-31-6 | Ethyl 2-(4-(methylthio)phenyl)-2-oxoacetate

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250mg
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00EEAG
Chemical Name:
Ethyl 2-(4-(methylthio)phenyl)-2-oxoacetate
CAS Number:
62936-31-6
Molecular Formula:
C11H12O3S
Molecular Weight:
224.2762
MDL Number:
MFCD01319625
SMILES:
CCOC(=O)C(=O)c1ccc(cc1)SC
Properties
Computed Properties
 
Complexity:
232  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
5  
XLogP3:
2.5  

Downstream Synthesis Route

[1]Adlerova,E.etal.[CollectionofCzechoslovakChemicalCommunications,1964,vol.29,p.97-120]

[2]Xie,Rongrong;Liu,Cungang;Lin,Renwei;Zhang,Runchen;Huang,Haizhou;Chang,Mingxin[OrganicLetters,2022,vol.24,#31,p.5646-5650]

[1]Adlerova,E.etal.[CollectionofCzechoslovakChemicalCommunications,1964,vol.29,p.97-120]

[1]CurrentPatentAssignee:KYUNGHEEUNIVERSITY-WO2008/140251,2008,A2Locationinpatent:Page/Pagecolumn11

[2]Barnish;Cross;Danilewicz;Dickinson;Stopher[JournalofMedicinalChemistry,1981,vol.24,#4,p.399-404]

[3]Locationinpatent:schemeortableMoon,JongTaik;Jeon,JiYoung;Park,HangAh;Noh,Young-Soo;Lee,Kyung-Tae;Kim,Jungahn;Choo,DongJoon;Lee,JaeYeol[BioorganicandMedicinalChemistryLetters,2010,vol.20,#2,p.734-737]

[4]Merkt,FranziskaK.;Höwedes,SimonP.;Gers-Panther,CharlotteF.;Gruber,Irina;Janiak,Christoph;Müller,ThomasJ.J.[Chemistry-AEuropeanJournal,2018,vol.24,#32,p.8114-8125]

[5]Guillemard,Lucas;Colobert,Françoise;Wencel-Delord,Joanna[AdvancedSynthesisandCatalysis,2018,vol.360,#21,p.4184-4190]

[1]Creary,Xavier;Mehrsheikh-Mohammadi,M.E.[JournalofOrganicChemistry,1986,vol.51,#14,p.2664-2668]

[1]Creary,Xavier;Mehrsheikh-Mohammadi,M.E.[JournalofOrganicChemistry,1986,vol.51,#14,p.2664-2668]

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-US2008/146625,2008,A1Locationinpatent:Page/Pagecolumn15

[3]CurrentPatentAssignee:SHANDONGLUKANGSHELILEPHARMACEUTICALCO.,LTD.-CN110452198,2019,ALocationinpatent:Paragraph0086-0087;0096-0097;0105-0106

Literature
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SDS
Tags:62936-31-6 Molecular Formula|62936-31-6 MDL|62936-31-6 SMILES|62936-31-6 Ethyl 2-(4-(methylthio)phenyl)-2-oxoacetate