Home Fluorides 852913-16-7
852913-16-7,MFCD16875670
Catalog No.:AA0038XZ

852913-16-7 | N-[3,5-Bis(trifluoromethyl)phenyl]-n'-[(8a,9s)-6'-methoxy-9-cinchonanyl]thiourea

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50mg
95%
in stock  
$103.00   $72.00
- +
100mg
95%
in stock  
$130.00   $91.00
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250mg
95%
in stock  
$169.00   $118.00
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1g
95%
in stock  
$484.00   $339.00
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5g
95%
in stock  
$1,453.00   $1,017.00
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10g
95%
in stock  
$2,421.00   $1,695.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0038XZ
Chemical Name:
N-[3,5-Bis(trifluoromethyl)phenyl]-n'-[(8a,9s)-6'-methoxy-9-cinchonanyl]thiourea
CAS Number:
852913-16-7
Molecular Formula:
C29H28F6N4OS
Molecular Weight:
594.6142
MDL Number:
MFCD16875670
SMILES:
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](c1ccnc2c1cc(OC)cc2)NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Computed Properties
 
Complexity:
912  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
XLogP3:
6.6  

Downstream Synthesis Route
23165-29-9   
(8S,9S)-9-amino-(9-deoxy)epiquinine 
  852913-16-7 

[1]Li,Zhanhuan;Zhou,Hongwei;Xu,Jianfeng[OrganicLetters,2021,vol.23,#16,p.6391-6395]

[2]DelPozo,Sandra;Vera,Silvia;Oiarbide,Mikel;Palomo,Claudio[JournaloftheAmericanChemicalSociety,2017,vol.139,#43,p.15308-15311]

[3]Zhang,Guoping;Zhu,Chun;Liu,Dengyue;Pan,Jianke;Zhang,Jian;Hu,Deyu;Song,Baoan[Tetrahedron,2017,vol.73,#2,p.129-136]

[4]Dargó,Gyula;Garádi,Zsófia;Hámori,Lilla;Kisszékelyi,Péter;Kupai,József;Nagy,Sándor;Pósa,SzonjaPolett;Szakács,Gergely;Tóth,Szilárd[BioorganicandMedicinalChemistry,2022,vol.67]

[5]Line,NathanJ.;Witherspoon,BrittanyP.;Hancock,ErinN.;Brown,M.Kevin[JournaloftheAmericanChemicalSociety,2017,vol.139,#41,p.14392-14395]

[6]Fang,Yanhong;Lu,Ning;Wei,Zhonglin;Cao,Jungang;Liang,Dapeng;Lin,Yingjie;Duan,Haifeng[TetrahedronLetters,2018,vol.59,#50,p.4371-4375]

[7]Manna,MadhuSudan;Mukherjee,Santanu[Chemistry-AEuropeanJournal,2012,vol.18,#48,p.15277-15282]

[8]Massolo,Elisabetta;Benaglia,Maurizio;Genoni,Andrea;Annunziata,Rita;Celentano,Giuseppe;Gaggero,Nicoletta[OrganicandBiomolecularChemistry,2015,vol.13,#20,p.5591-5596]

[9]Li,Xin;Deng,Hui;Zhang,Bo;Li,Jiuyuan;Zhang,Long;Luo,Sanzhong;Cheng,Jin-Pei[Chemistry-AEuropeanJournal,2010,vol.16,#2,p.450-455]

[10]Asano,Keisuke;Matsubara,Seijiro[JournaloftheAmericanChemicalSociety,2011,vol.133,#42,p.16711-16713]

[11]Fukata,Yukihiro;Asano,Keisuke;Matsubara,Seijiro[JournaloftheAmericanChemicalSociety,2013,vol.135,#33,p.12160-12163]

[12]Zhu,Jian-Bo;Chen,EugeneY.-X.[JournaloftheAmericanChemicalSociety,2015,vol.137,#39,p.12506-12509]

[13]Xu,Yao;Hong,YoungJ.;Tantillo,DeanJ.;Brown,M.Kevin[OrganicLetters,2017,vol.19,#14,p.3703-3706]

[14]CurrentPatentAssignee:PACIRABIOSCIENCES,INC.-WO2017/218920,2017,A1Locationinpatent:Page/Pagecolumn39;52

[15]Asano,Keisuke;Matsubara,Seijiro[Synthesis,2018,vol.50,#21,p.4243-4253]

[16]Sakai,Naoki;Kawashima,Kyohei;Kajitani,Masashi;Mori,Seiji;Oriyama,Takeshi[OrganicLetters,2021,vol.23,#15,p.5714-5718]

[1]Asano,Keisuke;Matsubara,Seijiro[JournaloftheAmericanChemicalSociety,2011,vol.133,#42,p.16711-16713]

[2]Massolo,Elisabetta;Benaglia,Maurizio;Genoni,Andrea;Annunziata,Rita;Celentano,Giuseppe;Gaggero,Nicoletta[OrganicandBiomolecularChemistry,2015,vol.13,#20,p.5591-5596]

[3]DelPozo,Sandra;Vera,Silvia;Oiarbide,Mikel;Palomo,Claudio[JournaloftheAmericanChemicalSociety,2017,vol.139,#43,p.15308-15311]

[4]CurrentPatentAssignee:PACIRABIOSCIENCES,INC.-WO2017/218920,2017,A1

[5]Dargó,Gyula;Garádi,Zsófia;Hámori,Lilla;Kisszékelyi,Péter;Kupai,József;Nagy,Sándor;Pósa,SzonjaPolett;Szakács,Gergely;Tóth,Szilárd[BioorganicandMedicinalChemistry,2022,vol.67]

[1]Asano,Keisuke;Matsubara,Seijiro[JournaloftheAmericanChemicalSociety,2011,vol.133,#42,p.16711-16713]

[2]Manna,MadhuSudan;Mukherjee,Santanu[Chemistry-AEuropeanJournal,2012,vol.18,#48,p.15277-15282]

[3]Fukata,Yukihiro;Asano,Keisuke;Matsubara,Seijiro[JournaloftheAmericanChemicalSociety,2013,vol.135,#33,p.12160-12163]

[4]Massolo,Elisabetta;Benaglia,Maurizio;Genoni,Andrea;Annunziata,Rita;Celentano,Giuseppe;Gaggero,Nicoletta[OrganicandBiomolecularChemistry,2015,vol.13,#20,p.5591-5596]

[5]Zhu,Jian-Bo;Chen,EugeneY.-X.[JournaloftheAmericanChemicalSociety,2015,vol.137,#39,p.12506-12509]

[6]Medina,Sandra;Harper,MatthewJ.;Balmond,EdwardI.;Miranda,Silvia;Crisenza,GiacomoE.M.;Coe,DianeM.;McGarrigle,EoghanM.;Galan,M.Carmen[OrganicLetters,2016,vol.18,#17,p.4222-4225]

[7]Xu,Yao;Hong,YoungJ.;Tantillo,DeanJ.;Brown,M.Kevin[OrganicLetters,2017,vol.19,#14,p.3703-3706]

[8]Line,NathanJ.;Witherspoon,BrittanyP.;Hancock,ErinN.;Brown,M.Kevin[JournaloftheAmericanChemicalSociety,2017,vol.139,#41,p.14392-14395]

[9]DelPozo,Sandra;Vera,Silvia;Oiarbide,Mikel;Palomo,Claudio[JournaloftheAmericanChemicalSociety,2017,vol.139,#43,p.15308-15311]

[10]CurrentPatentAssignee:PACIRABIOSCIENCES,INC.-WO2017/218920,2017,A1

[11]Asano,Keisuke;Matsubara,Seijiro[Synthesis,2018,vol.50,#21,p.4243-4253]

[12]Sakai,Naoki;Kawashima,Kyohei;Kajitani,Masashi;Mori,Seiji;Oriyama,Takeshi[OrganicLetters,2021,vol.23,#15,p.5714-5718]

[13]Li,Zhanhuan;Zhou,Hongwei;Xu,Jianfeng[OrganicLetters,2021,vol.23,#16,p.6391-6395]

[14]Dargó,Gyula;Garádi,Zsófia;Hámori,Lilla;Kisszékelyi,Péter;Kupai,József;Nagy,Sándor;Pósa,SzonjaPolett;Szakács,Gergely;Tóth,Szilárd[BioorganicandMedicinalChemistry,2022,vol.67]

17356-08-0    328-74-5   
9-amino-9-deoxy-epiquinine 
  852913-16-7 

[1]Jin,Zhichao;Xu,Jianfeng;Yang,Song;Song,Bao-An;Chi,YongguiRobin[AngewandteChemie-InternationalEdition,2013,vol.52,#47,p.12354-12358][Angew.Chem.,2013,vol.125,#47,p.12580-12584,5]

[1]Medina,Sandra;Harper,MatthewJ.;Balmond,EdwardI.;Miranda,Silvia;Crisenza,GiacomoE.M.;Coe,DianeM.;McGarrigle,EoghanM.;Galan,M.Carmen[OrganicLetters,2016,vol.18,#17,p.4222-4225]

Literature

Title: Synergistic organocatalysis in the kinetic resolution of secondary thiols with concomitant desymmetrization of an anhydride.

Journal: Nature chemistry 20100501

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Tags:852913-16-7 Molecular Formula|852913-16-7 MDL|852913-16-7 SMILES|852913-16-7 N-[3,5-Bis(trifluoromethyl)phenyl]-n'-[(8a,9s)-6'-methoxy-9-cinchonanyl]thiourea