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78685-51-5,MFCD21332873
Catalog No.:AA00ICVZ

78685-51-5 | Methyl 2,2-dimethyl-3-oxocyclobutanecarboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$194.00   $136.00
- +
250mg
95%
in stock  
$257.00   $180.00
- +
500mg
95%
in stock  
$387.00   $271.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00ICVZ
Chemical Name:
Methyl 2,2-dimethyl-3-oxocyclobutanecarboxylate
CAS Number:
78685-51-5
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD21332873
SMILES:
COC(=O)C1CC(=O)C1(C)C
Properties
Computed Properties
 
Complexity:
205  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.5  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartO'Brien,JeannetteM.;Kingsbury,JasonS.[JournalofOrganicChemistry,2011,vol.76,#6,p.1662-1672]

[2]Heine,Hans-Georg;Hartmann,Willy[AngewandteChemie,1981,vol.93,#9,p.805-806]

[3]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2019/1420,2019,A1Locationinpatent:Page/Pagecolumn79

[4]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2015/175557,2015,A1Locationinpatent:Paragraph0206;0256

[5]Papa,Patrick;Whitefield,Brandon;Mortensen,DeborahS.;Cashion,Dan;Huang,Dehua;Torres,Eduardo;Parnes,Jason;Sapienza,John;Hansen,Joshua;Correa,Matthew;Delgado,Mercedes;Harris,Roy;Hegde,Sayee;Norris,Stephen;Bahmanyar,Sogole;Plantevin-Krenitsky,Veronique;Liu,Zheng;Leftheris,Katerina;Kulkarni,Ashutosh;Bennett,Brydon;Hur,EunMi;Ringheim,Garth;Khambatta,Godrej;Chan,Henry;Muir,Jeffrey;Blease,Kate;Burnett,Kelven;Lebrun,Laurie;Morrison,Lisa;Celeridad,Maria;Khattri,Roli;Cathers,BrianE.[JournalofMedicinalChemistry,2021,vol.64,#16,p.11886-11903]

[1]Locationinpatent:experimentalpartO'Brien,JeannetteM.;Kingsbury,JasonS.[JournalofOrganicChemistry,2011,vol.76,#6,p.1662-1672]

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2015/175557,2015,A1Locationinpatent:Paragraph0207;0257

78685-51-5   
methyl2,2-dimethyl-5-oxopyrrolidine-3-carboxylate 

[1]Locationinpatent:experimentalpartO'Brien,JeannetteM.;Kingsbury,JasonS.[JournalofOrganicChemistry,2011,vol.76,#6,p.1662-1672]

78685-51-5   
C8H14O4 

[1]Locationinpatent:bodytextO'Brien,JeannetteM.;Kingsbury,JasonS.[JournalofOrganicChemistry,2011,vol.76,#6,p.1662-1672]

78685-51-5   
cis-methyl4-bromo-2,2-dimethyl-3-oxocyclobutanecarboxylate 

[1]Locationinpatent:experimentalpartO'Brien,JeannetteM.;Kingsbury,JasonS.[JournalofOrganicChemistry,2011,vol.76,#6,p.1662-1672]

Literature
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SDS
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Tags:78685-51-5 Molecular Formula|78685-51-5 MDL|78685-51-5 SMILES|78685-51-5 Methyl 2,2-dimethyl-3-oxocyclobutanecarboxylate