16436-00-3,MFCD00059448
Catalog No.:AA001URW

16436-00-3 | Acetoacetic acid n-octyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
500mg
1 week  
$427.00   $299.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001URW
Chemical Name:
Acetoacetic acid n-octyl ester
CAS Number:
16436-00-3
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
MDL Number:
MFCD00059448
SMILES:
CCCCCCCCOC(=O)CC(=O)C
Properties
Properties
 
Form:
Liquid  

Computed Properties
 
Complexity:
187  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
10  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.3  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartRatti,Rajni;Kaur,Sukhbir;Vaultier,Michel;Singh,Vasundhara[CatalysisCommunications,2010,vol.11,#6,p.503-507]

[2]Inahashi,Nobuyuki;Fujiwara,Takashi;Sato,Tsuneo[Synlett,2008,#4,p.605-607]

[3]Locationinpatent:schemeortableRen,Yiming;Cai,Chun[SyntheticCommunications,2010,vol.40,#11,p.1670-1676]

[4]Baderetal.[JournaloftheAmericanChemicalSociety,1951,vol.73,p.4195]

[5]Mastagli,P.;Francois,G.[BulletindelaSocieteChimiquedeFrance,1960,p.808-810]

[6]Xu,Jie;Wang,Yue;Shang,Jie-Kun;Ma,Dan;Li,Yong-Xin[AppliedCatalysisA:General,2017,vol.538,p.221-229]

[1]Inahashi,Nobuyuki;Fujiwara,Takashi;Sato,Tsuneo[Synlett,2008,#4,p.605-607]

[2]Locationinpatent:experimentalpartDharmaRao;Kaushik[TetrahedronLetters,2011,vol.52,#39,p.5104-5106]

[3]Locationinpatent:experimentalpartYang,Jinhui;Ji,Congbin;Zhao,Yanmin;Li,Yunfeng;Jiang,Shizhi;Zhang,Zhiwei;Ji,Yongqiang;Liu,Wanyi[SyntheticCommunications,2010,vol.40,#7,p.957-963]

[4]Suarez,Margarita;DeArmas,Merly;Ramirez,Oney;Alvarez,Amaury;Martinez-Alvarez,Roberto;Molero,Dolores;Seoane,Carlos;Liz,Ramon;DeArmas,HectorNovoa;Blaton,NorbertM.;Peeters,OswaldM.;Martin,Nazario[NewJournalofChemistry,2005,vol.29,#12,p.1567-1576]

[5]Gohain,Mukut;Kumar,Vinod;VanTonder,JohannesH.;Swart,HendrikC.;Ntwaeaborwa,OdirelengM.;Bezuidenhoudt,BarendC.B.[RSCAdvances,2015,vol.5,#24,p.18972-18976]

[6]Chavan,SubhashP.;Zubaidha;Dantale,ShubhadaW.;Keshavaraja;Ramaswamy;Ravindranathan[TetrahedronLetters,1996,vol.37,#2,p.233-236]

[7]Chavan;TripuraSubbarao;Dantale;Sivappa[SyntheticCommunications,2001,vol.31,#2,p.289-294]

[8]CurrentPatentAssignee:COUNCILOFSCIENTIFICANDINDUSTRIALRESEARCH(IN)-US6376701,2002,B1

[9]Kantam,M.Lakshmi;Ravindra;Reddy,Ch.Venkat;Sreedhar;Choudary[AdvancedSynthesisandCatalysis,2006,vol.348,#4-5,p.569-578]

[10]DharmaRao;Acharya;Kaushik[TetrahedronLetters,2013,vol.54,#48,p.6644-6647]

[11]Weber,AndressaC.H.;Batista,ThaísC.;Gonçalves,Bruno;Hack,CarolinaR.L.;Porciuncula,LarissaM.;Treptow,TamaraG.M.;D’Oca,CarolineDaR.Montes;Russowsky,Dennis;D’Oca,MarceloG.Montes[JournaloftheAmericanOilChemists'Society,2016,vol.93,#10,p.1399-1406]

[12]Chavan,SubhashP;Shivasankar;Sivappa;Kale,Ramesh[TetrahedronLetters,2002,vol.43,#47,p.8583-8586]

[13]Baderetal.[JournaloftheAmericanChemicalSociety,1951,vol.73,p.4195]

[14]Reddy,BenjaramM.;Reddy,VangalaR.;Manohar,Basude[SyntheticCommunications,1999,vol.29,#7,p.1235-1239]

[15]Zhang,Mei-Na;Zhao,Mi-Na;Chen,Ming;Ren,Zhi-Hui;Wang,Yao-Yu;Guan,Zheng-Hui[ChemicalCommunications,2016,vol.52,#36,p.6127-6130]

[16]Corsi,Massimo;Machetti,Fabrizio;Magnolfi,Stefano[EuropeanJournalofOrganicChemistry,2020]

Literature
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Additional Info:
SDS
Tags:16436-00-3 Molecular Formula|16436-00-3 MDL|16436-00-3 SMILES|16436-00-3 Acetoacetic acid n-octyl ester
Catalog No.: AA001URW
16436-00-3,MFCD00059448
16436-00-3 | Acetoacetic acid n-octyl ester
Pack Size: 500mg
Purity:
1 week
$427.00 $299.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001URW
Chemical Name: Acetoacetic acid n-octyl ester
CAS Number: 16436-00-3
Molecular Formula: C12H22O3
Molecular Weight: 214.3013
MDL Number: MFCD00059448
SMILES: CCCCCCCCOC(=O)CC(=O)C
Properties
Form: Liquid  
Complexity: 187  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 10  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.3  
Downstream Synthesis Route
111-87-5    141-97-9    16436-00-3 

[1]Locationinpatent:experimentalpartRatti,Rajni;Kaur,Sukhbir;Vaultier,Michel;Singh,Vasundhara[CatalysisCommunications,2010,vol.11,#6,p.503-507]

[2]Inahashi,Nobuyuki;Fujiwara,Takashi;Sato,Tsuneo[Synlett,2008,#4,p.605-607]

[3]Locationinpatent:schemeortableRen,Yiming;Cai,Chun[SyntheticCommunications,2010,vol.40,#11,p.1670-1676]

[4]Baderetal.[JournaloftheAmericanChemicalSociety,1951,vol.73,p.4195]

[5]Mastagli,P.;Francois,G.[BulletindelaSocieteChimiquedeFrance,1960,p.808-810]

[6]Xu,Jie;Wang,Yue;Shang,Jie-Kun;Ma,Dan;Li,Yong-Xin[AppliedCatalysisA:General,2017,vol.538,p.221-229]

111-87-5    105-45-3    16436-00-3 

[1]Inahashi,Nobuyuki;Fujiwara,Takashi;Sato,Tsuneo[Synlett,2008,#4,p.605-607]

[2]Locationinpatent:experimentalpartDharmaRao;Kaushik[TetrahedronLetters,2011,vol.52,#39,p.5104-5106]

[3]Locationinpatent:experimentalpartYang,Jinhui;Ji,Congbin;Zhao,Yanmin;Li,Yunfeng;Jiang,Shizhi;Zhang,Zhiwei;Ji,Yongqiang;Liu,Wanyi[SyntheticCommunications,2010,vol.40,#7,p.957-963]

[4]Suarez,Margarita;DeArmas,Merly;Ramirez,Oney;Alvarez,Amaury;Martinez-Alvarez,Roberto;Molero,Dolores;Seoane,Carlos;Liz,Ramon;DeArmas,HectorNovoa;Blaton,NorbertM.;Peeters,OswaldM.;Martin,Nazario[NewJournalofChemistry,2005,vol.29,#12,p.1567-1576]

[5]Gohain,Mukut;Kumar,Vinod;VanTonder,JohannesH.;Swart,HendrikC.;Ntwaeaborwa,OdirelengM.;Bezuidenhoudt,BarendC.B.[RSCAdvances,2015,vol.5,#24,p.18972-18976]

[6]Chavan,SubhashP.;Zubaidha;Dantale,ShubhadaW.;Keshavaraja;Ramaswamy;Ravindranathan[TetrahedronLetters,1996,vol.37,#2,p.233-236]

[7]Chavan;TripuraSubbarao;Dantale;Sivappa[SyntheticCommunications,2001,vol.31,#2,p.289-294]

[8]CurrentPatentAssignee:COUNCILOFSCIENTIFICANDINDUSTRIALRESEARCH(IN)-US6376701,2002,B1

[9]Kantam,M.Lakshmi;Ravindra;Reddy,Ch.Venkat;Sreedhar;Choudary[AdvancedSynthesisandCatalysis,2006,vol.348,#4-5,p.569-578]

[10]DharmaRao;Acharya;Kaushik[TetrahedronLetters,2013,vol.54,#48,p.6644-6647]

[11]Weber,AndressaC.H.;Batista,ThaísC.;Gonçalves,Bruno;Hack,CarolinaR.L.;Porciuncula,LarissaM.;Treptow,TamaraG.M.;D’Oca,CarolineDaR.Montes;Russowsky,Dennis;D’Oca,MarceloG.Montes[JournaloftheAmericanOilChemists'Society,2016,vol.93,#10,p.1399-1406]

[12]Chavan,SubhashP;Shivasankar;Sivappa;Kale,Ramesh[TetrahedronLetters,2002,vol.43,#47,p.8583-8586]

[13]Baderetal.[JournaloftheAmericanChemicalSociety,1951,vol.73,p.4195]

[14]Reddy,BenjaramM.;Reddy,VangalaR.;Manohar,Basude[SyntheticCommunications,1999,vol.29,#7,p.1235-1239]

[15]Zhang,Mei-Na;Zhao,Mi-Na;Chen,Ming;Ren,Zhi-Hui;Wang,Yao-Yu;Guan,Zheng-Hui[ChemicalCommunications,2016,vol.52,#36,p.6127-6130]

[16]Corsi,Massimo;Machetti,Fabrizio;Magnolfi,Stefano[EuropeanJournalofOrganicChemistry,2020]

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