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1823-90-1,MFCD00129065
Catalog No.:AA00AX6E

1823-90-1 | 4-Hydroxy-3,3-dimethylbutan-2-one

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100mg
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$287.00   $201.00
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250mg
95%
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$500.00   $350.00
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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:
AA00AX6E
Chemical Name:
4-Hydroxy-3,3-dimethylbutan-2-one
CAS Number:
1823-90-1
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD00129065
SMILES:
OCC(C(=O)C)(C)C
Properties
Computed Properties
 
Complexity:
94.7  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
0.1  

Downstream Synthesis Route

[1]Ketcham,JohnM.;Volchkov,Ivan;Chen,Te-Yu;Blumberg,PeterM.;Kedei,Noemi;Lewin,NancyE.;Krische,MichaelJ.[JournaloftheAmericanChemicalSociety,2016,vol.138,#40,p.13415-13423]

[2]Lu,Yu;Woo,SangKook;Krische,MichaelJ.[JournaloftheAmericanChemicalSociety,2011,vol.133,#35,p.13876-13879]

[3]Trost,BarryM.;Yang,Hanbiao;Thiel,OliverR.;Frontier,AlisonJ.;Brindle,CheyenneS.[JournaloftheAmericanChemicalSociety,2007,vol.129,#8,p.2206-2207]

[4]Locationinpatent:schemeortableTrost,BarryM.;Frontier,AlisonJ.;Thiel,OliverR.;Yang,Hanbiao;Dong,Guangbin[Chemistry-AEuropeanJournal,2011,vol.17,#35,p.9762-9776]

[5]CurrentPatentAssignee:SUMITOMOCHEMICALCOMPANYLIMITED;SumitomoChemical(w/oDongwooFine-Chem)-WO2014/58037,2014,A1Locationinpatent:Paragraph0091

[6]Marko,IstvanE.;Schevenels,FlorianT.[BeilsteinJournalofOrganicChemistry,2013,vol.9,p.1319-1325]

[7]Decombe[ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1936,vol.203,p.1078,1079]

[8]Sulmon,Paul;Kimpe,NorbertDe;Verhe,Roland;Buyck,LaurentDe;Schamp,Niceas[Synthesis,1986,#3,p.192-195]

[9]CurrentPatentAssignee:BAYERAG-US4254132,1981,A

[10]CurrentPatentAssignee:ABBVIEINC-WO2008/34863,2008,A2Locationinpatent:Page/Pagecolumn27

[11]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2013/183269,2013,A1Locationinpatent:Paragraph0779;0780

[12]CurrentPatentAssignee:BIOCONLIMITED;BRISTOL-MYERSSQUIBBCO-US2015/23913,2015,A1Locationinpatent:Paragraph0777;0778

[13]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2015/5901,2015,A1Locationinpatent:Page/Pagecolumn257;258

[14]CurrentPatentAssignee:TRIOMEDICINES-WO2016/20698,2016,A1Locationinpatent:Page/Pagecolumn41;42

[15]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2016/71215,2016,A1Locationinpatent:Page/Pagecolumn34

[16]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2017/114812,2017,A1Locationinpatent:Page/Pagecolumn29;30

[17]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2017/108630,2017,A1Locationinpatent:Page/Pagecolumn51;52

[18]CurrentPatentAssignee:THESCHEINGROUP;TONIXPHARMACEUTICALSHOLDINGCORP.-WO2021/226559,2021,A1Locationinpatent:Paragraph0265

[1]CurrentPatentAssignee:ABBOTTLABORATORIESINC-WO2013/10453,2013,A1Locationinpatent:Page/Pagecolumn262

[2]Hodgson,P.K.G.;Warren,S.[JournaloftheChemicalSociety.PerkintransactionsII,1975,p.372-380]

[1]CurrentPatentAssignee:STANFORDUNIVERSITY-WO2009/52507,2009,A1Locationinpatent:Page/Pagecolumn81

[2]Lumma,W.C.;Ma,O.H.[JournalofOrganicChemistry,1970,vol.35,p.2391-2393]

[3]Boeykens;DeKimpe;AbbaspourTehrani[JournalofOrganicChemistry,1994,vol.59,#23,p.6973-6985]

[4]CurrentPatentAssignee:STANFORDUNIVERSITY-US2009/270492,2009,A1Locationinpatent:Page/Pagecolumn58

[5]Kiuru,Emilia;Ahmed,Zafar;Lönnberg,Harri;Beigelman,Leonid;Ora,Mikko[JournalofOrganicChemistry,2013,vol.78,#3,p.950-959]

[1]Karl,C.L.etal.[JournalofOrganicChemistry,1972,vol.37,#18,p.2834-2840]House,H.O.etal.[JournalofOrganicChemistry,1977,vol.42,#10,p.1709-1717]

[2]Sulmon,Paul;Kimpe,NorbertDe;Verhe,Roland;Buyck,LaurentDe;Schamp,Niceas[Synthesis,1986,#3,p.192-195]

[3]CurrentPatentAssignee:BAYERAG-US4371708,1983,A

[4]CurrentPatentAssignee:BAYERAG-US4406909,1983,A

[5]CurrentPatentAssignee:BAYERAG-US4470994,1984,A

[6]CurrentPatentAssignee:BAYERAG-US4549900,1985,A

[7]CurrentPatentAssignee:BAYERAG-US4472395,1984,A

[8]Schulz,Marvin;Christoffers,Jens[Tetrahedron,2013,vol.69,#2,p.802-809]

Trimethyl-1-methyl-1-(2-methyl-oxiranyl)-ethoxy-silane 
  1823-90-1 

[1]Maruoka,Keiji;Hasegawa,Masaichi;Yamamoto,Hisashi;Suzuki,Keisuke;Shimazaki,Masato;Tsuchihashi,Gen-ichi[JournaloftheAmericanChemicalSociety,1986,vol.108,#13,p.3827-3829]

Literature
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Tags:1823-90-1 Molecular Formula|1823-90-1 MDL|1823-90-1 SMILES|1823-90-1 4-Hydroxy-3,3-dimethylbutan-2-one