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163839-73-4,MFCD03094458
Catalog No.:AA001UDC

163839-73-4 | 2-[4-(Trifluoromethyl)phenoxy]acetic acid

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100mg
97%
in stock  
$17.00   $12.00
- +
250mg
97%
in stock  
$29.00   $21.00
- +
1g
97%
in stock  
$58.00   $41.00
- +
5g
97%
in stock  
$224.00   $157.00
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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:
AA001UDC
Chemical Name:
2-[4-(Trifluoromethyl)phenoxy]acetic acid
CAS Number:
163839-73-4
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
MDL Number:
MFCD03094458
SMILES:
OC(=O)COc1ccc(cc1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
219  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.4  

Downstream Synthesis Route

[1]Arienzo,Rosa;Clark,DavidE.;Cramp,Sue;Daly,Stephen;Dyke,HazelJ.;Lockey,Peter;Norman,Dennis;Roach,AlanG.;Stuttle,Keith;Tomlinson,Maxine;Wong,Melanie;Wren,StephenP.[BioorganicandMedicinalChemistryLetters,2004,vol.14,#15,p.4099-4102]

[2]CurrentPatentAssignee:CHARLESRIVERLABORATORIESINTERNATIONALINC-WO2005/35521,2005,A1Locationinpatent:Page/Pagecolumn46

163839-73-4    710328-09-9   
<i>N</i>-4-methyl-2-(4-methyl-piperazin-1-yl)-quinolin-6-yl-2-(4-trifluoromethyl-phenoxy)-acetamide 

[1]Arienzo,Rosa;Clark,DavidE.;Cramp,Sue;Daly,Stephen;Dyke,HazelJ.;Lockey,Peter;Norman,Dennis;Roach,AlanG.;Stuttle,Keith;Tomlinson,Maxine;Wong,Melanie;Wren,StephenP.[BioorganicandMedicinalChemistryLetters,2004,vol.14,#15,p.4099-4102]

[1]Ma,Chicheng;Chen,Yugang;Steinmetz,MarkG.[JournalofOrganicChemistry,2006,vol.71,#11,p.4206-4215]

[1]CurrentPatentAssignee:EVOTECAG-WO2020/216766,2020,A1Locationinpatent:Page/Pagecolumn66-67

[2]Chen,Ting;Shen,Ping;Li,Yanjun;He,Hongwu[Phosphorus,SulfurandSiliconandtheRelatedElements,2006,vol.181,#9,p.2135-2145]

[3]Wang,Da-Wei;Lin,Hong-Yan;He,Bo;Wu,Feng-Xu;Chen,Tao;Chen,Qiong;Yang,Wen-Chao;Yang,Guang-Fu[JournalofAgriculturalandFoodChemistry,2016,vol.64,#47,p.8986-8993]

[1]Ozcan,Sevil;Kazi,Aslamuzzaman;Marsilio,Frank;Fang,Bin;Guida,WayneC.;Koomen,John;Lawrence,HarshaniR.;Sebti,SaïdM.[JournalofMedicinalChemistry,2013,vol.56,#10,p.3783-3805]

[2]Chen,Ting;Shen,Ping;Li,Yanjun;He,Hongwu[Phosphorus,SulfurandSiliconandtheRelatedElements,2006,vol.181,#9,p.2135-2145]

[3]Locationinpatent:schemeortableHe,Hong-Wu;Yuan,Jun-Lin;Peng,Hao;Chen,Ting;Shen,Ping;Wan,Shu-Qing;Lee,Yanjun;Tan,Hong-Liang;He,Ya-Hui;He,Jun-Bo;Li,Yan[JournalofAgriculturalandFoodChemistry,2011,vol.59,#9,p.4801-4813]

[4]Wang,Tao;Wang,Wei;Peng,Hao;He,Hongwu[JournalofHeterocyclicChemistry,2015,vol.52,#1,p.173-179]

[5]Noncovich,Alain;Priest,Chad;Ung,Jane;Patron,AndrewP.;Servant,Guy;Brust,Paul;Servant,Nicole;Faber,Nathan;Liu,Hanghui;Gonsalves,NicoleS.;Ditschun,TanyaL.[BioorganicandMedicinalChemistryLetters,2017,vol.27,#16,p.3931-3938]

Literature
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Tags:163839-73-4 Molecular Formula|163839-73-4 MDL|163839-73-4 SMILES|163839-73-4 2-[4-(Trifluoromethyl)phenoxy]acetic acid |Fluorinated_Building_Blocks