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209414-27-7,MFCD09751012
Catalog No.:AA002K5T

209414-27-7 | (S)-1-(2-Amino-5-chlorophenyl)-1-(trifluoromethyl)-3-cyclopropyl-2-propyn-1-ol

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Purity
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250mg
98%(HPLC)
in stock  
$158.00   $110.00
- +
1g
98%(HPLC)
in stock  
$474.00   $332.00
- +
5g
98%(HPLC)
in stock  
$1,585.00   $1,109.00
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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:
AA002K5T
Chemical Name:
(S)-1-(2-Amino-5-chlorophenyl)-1-(trifluoromethyl)-3-cyclopropyl-2-propyn-1-ol
CAS Number:
209414-27-7
Molecular Formula:
C13H11ClF3NO
Molecular Weight:
289.6807
MDL Number:
MFCD09751012
SMILES:
O[C@](C(F)(F)F)(c1cc(Cl)ccc1N)C#CC1CC1
Properties
Computed Properties
 
Complexity:
409  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
3.8  

Downstream Synthesis Route

[1]Pierce,MichaelE.;ParsonsJr.,RodneyL.;Radesca,LilianA.;Lo,YoungS.;Silverman,Stuart;Moore,JamesR.;Islam,Qamrul;Choudhury,Anusuya;Fortunak,JosephM.D.;Nguyen,Dieu;Luo,Chi;Morgan,SusanJ.;Davis,WayneP.;Confalone,PatN.;Chen,Cheng-Yi;Tillyer,RichardD.;Frey,Lisa;Tan,Lushi;Xu,Feng;Zhao,Dalian;Thompson,AndrewS.;Corley,EdwardG.;Grabowski,EdwardJ.J.;Reamer,Robert;Reider,PaulJ.[JournalofOrganicChemistry,1998,vol.63,#23,p.8536-8543]

[2]CurrentPatentAssignee:MERCK&COINC-EP1017666,2003,B1Locationinpatent:Page/Pagecolumn17

[3]CurrentPatentAssignee:MERCK&COINC-EP1017666,2003,B1Locationinpatent:Page/Pagecolumn18

[4]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US5925789,1999,A

[5]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US6028237,2000,A

[6]CurrentPatentAssignee:MERCK&COINC-EP981520,2004,B1Locationinpatent:Page33

[7]CurrentPatentAssignee:MERCK&COINC-EP981520,2004,B1Locationinpatent:Page33-34

[1]Kawai,Hiroyuki;Kitayama,Takashi;Tokunaga,Etsuko;Shibata,Norio[EuropeanJournalofOrganicChemistry,2011,#30,p.5959-5961]

[2]Okusu,Satoshi;Hirano,Kazuki;Yasuda,Yoshimasa;Tanaka,Junki;Tokunaga,Etsuko;Fukaya,Haruhiko;Shibata,Norio[OrganicLetters,2016,vol.18,#21,p.5568-5571]

[3]Pierce,MichaelE.;ParsonsJr.,RodneyL.;Radesca,LilianA.;Lo,YoungS.;Silverman,Stuart;Moore,JamesR.;Islam,Qamrul;Choudhury,Anusuya;Fortunak,JosephM.D.;Nguyen,Dieu;Luo,Chi;Morgan,SusanJ.;Davis,WayneP.;Confalone,PatN.;Chen,Cheng-Yi;Tillyer,RichardD.;Frey,Lisa;Tan,Lushi;Xu,Feng;Zhao,Dalian;Thompson,AndrewS.;Corley,EdwardG.;Grabowski,EdwardJ.J.;Reamer,Robert;Reider,PaulJ.[JournalofOrganicChemistry,1998,vol.63,#23,p.8536-8543]

[4]CurrentPatentAssignee:MERCK&COINC-EP1017666,2003,B1Locationinpatent:Page/Pagecolumn16-17

[5]CurrentPatentAssignee:MERCK&COINC-EP981520,2004,B1Locationinpatent:Page32-33

[6]CurrentPatentAssignee:MERCK&COINC-EP968197,2005,B1Locationinpatent:Page/Pagecolumn13-14

[7]CurrentPatentAssignee:MERCK&COINC-EP968197,2005,B1Locationinpatent:Page/Pagecolumn15

[8]CurrentPatentAssignee:MERCK&COINC-EP968197,2005,B1Locationinpatent:Page/Pagecolumn14

[1]Pierce,MichaelE.;ParsonsJr.,RodneyL.;Radesca,LilianA.;Lo,YoungS.;Silverman,Stuart;Moore,JamesR.;Islam,Qamrul;Choudhury,Anusuya;Fortunak,JosephM.D.;Nguyen,Dieu;Luo,Chi;Morgan,SusanJ.;Davis,WayneP.;Confalone,PatN.;Chen,Cheng-Yi;Tillyer,RichardD.;Frey,Lisa;Tan,Lushi;Xu,Feng;Zhao,Dalian;Thompson,AndrewS.;Corley,EdwardG.;Grabowski,EdwardJ.J.;Reamer,Robert;Reider,PaulJ.[JournalofOrganicChemistry,1998,vol.63,#23,p.8536-8543]

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2012/48887,2012,A1

[3]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2012/48887,2012,A1

[4]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-EP2441759,2012,A1

[5]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-EP2441759,2012,A1

[6]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-EP2441759,2012,A1

[7]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2012/48884,2012,A1CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2012/48886,2012,A1

[8]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2012/48884,2012,A1CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2012/48886,2012,A1

[9]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2012/48884,2012,A1CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2012/48886,2012,A1

[1]CurrentPatentAssignee:EMCUREPHARMACEUTICALSLTD.-WO2010/32259,2010,A2Locationinpatent:Page/Pagecolumn16;17

[2]CurrentPatentAssignee:DISCOVERYINTERMEDIATESPRIVATELTD-WO2015/118515,2015,A1Locationinpatent:Page/Pagecolumn16

[3]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2012/48887,2012,A1Locationinpatent:Page/Pagecolumn17-18

[4]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-EP2441759,2012,A1Locationinpatent:Page/Pagecolumn9

[5]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2012/48884,2012,A1Locationinpatent:Page/Pagecolumn27

[6]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2012/48886,2012,A1Locationinpatent:Page/Pagecolumn22-23

[7]CurrentPatentAssignee:HOLDINGF.I.S.S.P.A.-WO2015/173106,2015,A1Locationinpatent:Paragraph091-094

[8]CurrentPatentAssignee:SUZHOUJIYUANKANGBIOTECHNOLOGY-CN111548317,2020,ALocationinpatent:Paragraph0051-0053

[9]CurrentPatentAssignee:LUPINLIMITED-US2012/108809,2012,A1Locationinpatent:Page/Pagecolumn3

[10]CurrentPatentAssignee:SUNPHARMACEUTICALINDUSTRIESLIMITED-WO2009/133538,2009,A1Locationinpatent:Page/Pagecolumn4;5

[11]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-EP2447255,2012,A1Locationinpatent:Page/Pagecolumn15

[1]CurrentPatentAssignee:HOLDINGF.I.S.S.P.A.-WO2010/85978,2010,A1Locationinpatent:Page/Pagecolumn8-9

[2]CurrentPatentAssignee:HOLDINGF.I.S.S.P.A.-WO2015/173106,2015,A1Locationinpatent:Paragraph082-086

[3]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-EP2447255,2012,A1Locationinpatent:Page/Pagecolumn12

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Tags:209414-27-7 Molecular Formula|209414-27-7 MDL|209414-27-7 SMILES|209414-27-7 (S)-1-(2-Amino-5-chlorophenyl)-1-(trifluoromethyl)-3-cyclopropyl-2-propyn-1-ol