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20754-22-7,MFCD01861883
Catalog No.:AA002J18

20754-22-7 | Methyl 4-trifluoromethylcinnamate

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1g
98%
in stock  
$66.00   $47.00
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5g
98%
in stock  
$80.00   $56.00
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10g
98%
in stock  
$153.00   $107.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002J18
Chemical Name:
Methyl 4-trifluoromethylcinnamate
CAS Number:
20754-22-7
Molecular Formula:
C11H9F3O2
Molecular Weight:
230.1832
MDL Number:
MFCD01861883
SMILES:
COC(=O)/C=C/c1ccc(cc1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
263  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
3  
XLogP3:
3.5  

Downstream Synthesis Route
20754-22-7   
methyl(Z)-3-(4-trifluoromethylphenyl)acrylate 

[1]Lewis,FrederickD.;Oxman,JoeD.;Gibson,LesterL.;Hampsch,HilaryL.;Quillen,SuzanneL.[JournaloftheAmericanChemicalSociety,1986,vol.108,#11,p.3005-3015]

582-17-2    20754-22-7   
9-Hydroxy-1-(4-trifluoromethyl-phenyl)-1,2-dihydro-benzofchromen-3-one 

[1]Speranza,Giovanna;DiMeo,Antonella;Zanzola,Simona;Fontana,Gabriele;Manitto,Paolo[Synthesis,1997,#8,p.931-936]

3-<4'-(trifluoromethyl)phenyl>-2-propenoicacid 
  20754-22-7 

[1]Rademann,Jorg;Smerdka,Joachim;Jung,Gnther;Grosche,Philipp;Schmid,Dietmar[AngewandteChemie-InternationalEdition,2001,vol.40,#2,p.381-385]

[1]Stambuli;Stauffer;Shaughnessy;Hartwig[JournaloftheAmericanChemicalSociety,2001,vol.123,#11,p.2677-2678]

[2]Wilson,KirstyL.;Murray,Jane;Sneddon,HelenF.;Jamieson,Craig;Watson,AllanJ.B.[Synlett,2018,vol.29,#17,p.2293-2297]

[1]Larionova,NataliaA.;Ondozabal,JunMiyatake;Cambeiro,XacobeC.[AdvancedSynthesisandCatalysis,2021,vol.363,#2,p.558-564]

[2]Hamilton,GregoryS.;Wu,Yong-Qian;Limburg,DavidC.;Wilkinson,DouglasE.;Vaal,MarkJ.;Li,Jia-He;Thomas,Christine;Huang,Wei;Sauer,Hansjorg;Ross,DouglasT.;Soni,Raj;Chen,Yi;Guo,Hongshi;Howorth,Pamela;Valentine,Heather;Liang,Shi;Spicer,Dawn;Fuller,Mike;Steiner,JosephP.[JournalofMedicinalChemistry,2002,vol.45,#16,p.3549-3557]

[3]Sunnerheim,Kerstin;Nordqvist,Anneli;Nordlander,Goeran;Borg-Karlson,Anna-Karin;Unelius,C.Rickard;Bohman,Bjoern;Nordenhem,Henrik;Hellqvist,Claes;Karlen,Anders[JournalofAgriculturalandFoodChemistry,2007,vol.55,#23,p.9365-9372]

[4]Bohman;Nordlander;Nordenhem;Sunnerheim;Borg-Karlson;Unelius[JournalofChemicalEcology,2008,vol.34,#3,p.339-352]

Literature
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Tags:20754-22-7 Molecular Formula|20754-22-7 MDL|20754-22-7 SMILES|20754-22-7 Methyl 4-trifluoromethylcinnamate