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4017-56-5,MFCD00144268
Catalog No.:AA003Q2D

4017-56-5 | Ethyl 2-oxo-1-cyclooctanecarboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$68.00   $48.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003Q2D
Chemical Name:
Ethyl 2-oxo-1-cyclooctanecarboxylate
CAS Number:
4017-56-5
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
MDL Number:
MFCD00144268
SMILES:
CCOC(=O)C1CCCCCCC1=O
Properties
Properties
 
Form:
Liquid  

Computed Properties
 
Complexity:
211  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Downstream Synthesis Route

[1]Strunz,GeorgeM.;Finlay,HeatherJ.[CanadianJournalofChemistry,1996,vol.74,#3,p.419-432]

[2]Smeenk,LindeE.J.;Dailly,Nicolas;Hiemstra,Henk;VanMaarseveen,JanH.;Timmerman,Peter[OrganicLetters,2012,vol.14,#5,p.1194-1197]

[3]Jang,Hyeon-Lok;El-Gamal,MohammedI.;Choi,Hye-Eun;Choi,Ho-Yeong;Lee,Kyung-Tae;Oh,Chang-Hyun[BioorganicandMedicinalChemistryLetters,2014,vol.24,#2,p.571-575]

[4]El-Gamal,MohammedI.;Oh,Chang-Hyun[EuropeanJournalofMedicinalChemistry,2014,vol.84,p.68-76]

[5]El-Gamal,MohammedI.;Baek,Daejin;Oh,Chang-Hyun[BulletinoftheKoreanChemicalSociety,2016,vol.37,#2,p.184-191]

[6]El-Gamal,MohammedI.;Lee,Woo-Seok;Shin,Ji-Sun;Oh,Chang-Hyun;Lee,Kyung-Tae;Choi,Jungseung;Myoung,Nohsun;Baek,Daejin[ArchivderPharmazie,2016,vol.349,#11,p.853-863]

[7]Li,Chao-Jun;Chen,Dong-Li;Lu,Yue-Qi;Haberman,JohnX.;Mague,JoelT.[Tetrahedron,1998,vol.54,#11,p.2347-2364]

[8]Krapchoetal.[OrganicSyntheses,1973,vol.Coll.Vol.V,p.198]

[9]Rhoads,S.J.etal.[Tetrahedron,1963,vol.19,p.1625-1644]

[10]CurrentPatentAssignee:UNIVERSITYOFMISSOURISYSTEM-US6458865,2002,B2

[11]Santra,Surojit;Maji,Ujjwal;Guin,Joyram[OrganicLetters,2020,vol.22,#2,p.468-473]

[1]Bernath,G.;Lazar,J.;Gera,L.;Goendoes,Gy.;Ecsery,Z.[ActaChimicaHungarica,1984,vol.115,#3,p.231-236]

[1]ActaChimicaHungarica,1984,vol.115,p.231-236

[1]Bernath,G.;Lazar,J.;Gera,L.;Goendoes,Gy.;Ecsery,Z.[ActaChimicaHungarica,1984,vol.115,#3,p.231-236]

[1]ActaChimicaHungarica,1984,vol.115,p.231-236

Literature
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SDS
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Tags:4017-56-5 Molecular Formula|4017-56-5 MDL|4017-56-5 SMILES|4017-56-5 Ethyl 2-oxo-1-cyclooctanecarboxylate
Catalog No.: AA003Q2D
4017-56-5,MFCD00144268
4017-56-5 | Ethyl 2-oxo-1-cyclooctanecarboxylate
Pack Size： 1g
Purity： 95%
in stock
$68.00 $48.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003Q2D
Chemical Name: Ethyl 2-oxo-1-cyclooctanecarboxylate
CAS Number: 4017-56-5
Molecular Formula: C11H18O3
Molecular Weight: 198.2588
MDL Number: MFCD00144268
SMILES: CCOC(=O)C1CCCCCCC1=O
Properties
Form: Liquid  
Complexity: 211  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Downstream Synthesis Route
502-49-8    105-58-8    4017-56-5 

[1]Strunz,GeorgeM.;Finlay,HeatherJ.[CanadianJournalofChemistry,1996,vol.74,#3,p.419-432]

[2]Smeenk,LindeE.J.;Dailly,Nicolas;Hiemstra,Henk;VanMaarseveen,JanH.;Timmerman,Peter[OrganicLetters,2012,vol.14,#5,p.1194-1197]

[3]Jang,Hyeon-Lok;El-Gamal,MohammedI.;Choi,Hye-Eun;Choi,Ho-Yeong;Lee,Kyung-Tae;Oh,Chang-Hyun[BioorganicandMedicinalChemistryLetters,2014,vol.24,#2,p.571-575]

[4]El-Gamal,MohammedI.;Oh,Chang-Hyun[EuropeanJournalofMedicinalChemistry,2014,vol.84,p.68-76]

[5]El-Gamal,MohammedI.;Baek,Daejin;Oh,Chang-Hyun[BulletinoftheKoreanChemicalSociety,2016,vol.37,#2,p.184-191]

[6]El-Gamal,MohammedI.;Lee,Woo-Seok;Shin,Ji-Sun;Oh,Chang-Hyun;Lee,Kyung-Tae;Choi,Jungseung;Myoung,Nohsun;Baek,Daejin[ArchivderPharmazie,2016,vol.349,#11,p.853-863]

[7]Li,Chao-Jun;Chen,Dong-Li;Lu,Yue-Qi;Haberman,JohnX.;Mague,JoelT.[Tetrahedron,1998,vol.54,#11,p.2347-2364]

[8]Krapchoetal.[OrganicSyntheses,1973,vol.Coll.Vol.V,p.198]

[9]Rhoads,S.J.etal.[Tetrahedron,1963,vol.19,p.1625-1644]

[10]CurrentPatentAssignee:UNIVERSITYOFMISSOURISYSTEM-US6458865,2002,B2

[11]Santra,Surojit;Maji,Ujjwal;Guin,Joyram[OrganicLetters,2020,vol.22,#2,p.468-473]

4017-56-5    24095-60-1    91272-28-5 

[1]Bernath,G.;Lazar,J.;Gera,L.;Goendoes,Gy.;Ecsery,Z.[ActaChimicaHungarica,1984,vol.115,#3,p.231-236]

4017-56-5    14401-51-5    91272-29-6 

[1]ActaChimicaHungarica,1984,vol.115,p.231-236

4017-56-5    51488-33-6    91272-32-1 

[1]Bernath,G.;Lazar,J.;Gera,L.;Goendoes,Gy.;Ecsery,Z.[ActaChimicaHungarica,1984,vol.115,#3,p.231-236]

4017-56-5    3599-89-1    91282-41-6 

[1]ActaChimicaHungarica,1984,vol.115,p.231-236

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