Home Fluorides 104201-66-3
104201-66-3,MFCD08704704
Catalog No.:AA00HA89

104201-66-3 | 3-(Trifluoromethyl)cinnamic acid methyl ester

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250mg
98%
in stock  
$69.00   $48.00
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1g
98%
in stock  
$95.00   $67.00
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5g
98%
in stock  
$261.00   $183.00
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25g
98%
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$1,009.00   $706.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00HA89
Chemical Name:
3-(Trifluoromethyl)cinnamic acid methyl ester
CAS Number:
104201-66-3
Molecular Formula:
C11H9F3O2
Molecular Weight:
230.1832
MDL Number:
MFCD08704704
SMILES:
COC(=O)/C=C/c1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
271  
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

[1]ArchivderPharmazie,1986,vol.319,p.29-37

[2]JournalofOrganicChemistry,2001,vol.66,p.4619-4624

[1]AngewandteChemie-InternationalEdition,2015,vol.54,p.2361-2365    Angew.Chem.,2015,vol.127,p.2391-2395,5

[2]BioorganicandMedicinalChemistry,2004,vol.12,p.2021-2034

[3]EuropeanJournalofMedicinalChemistry,2015,vol.103,p.238-251

[1]JournalofOrganicChemistry,2001,vol.66,p.4619-4624

[1]Schmidt,Bernd;Berger,Rene[AdvancedSynthesisandCatalysis,2013,vol.355,#2-3,p.463-476]

[1]Saha,Argha;Guin,Srimanta;Ali,Wajid;Bhattacharya,Trisha;Sasmal,Sheuli;Goswami,Nupur;Prakash,Gaurav;Sinha,SoumyaKumar;Chandrashekar,HediyalaB.;Panda,Sanjib;Anjana;Maiti,Debabrata[JournaloftheAmericanChemicalSociety,2022,vol.144,#20,p.9181-9181]

Literature
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SDS
Tags:104201-66-3 Molecular Formula|104201-66-3 MDL|104201-66-3 SMILES|104201-66-3 3-(Trifluoromethyl)cinnamic acid methyl ester