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Home Fluorides 80992-93-4
80992-93-4,MFCD00052848
Catalog No.:AA00ID2P

80992-93-4 | (Z)-4-(4-(Trifluoromethyl)phenyl)but-3-en-2-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
1 week  
$94.00   $66.00
- +
1g
95%+
1 week  
$285.00   $199.00
- +
5g
95%+
1 week  
$720.00   $504.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00ID2P
Chemical Name:
(Z)-4-(4-(Trifluoromethyl)phenyl)but-3-en-2-one
CAS Number:
80992-93-4
Molecular Formula:
C11H9F3O
Molecular Weight:
214.1838
MDL Number:
MFCD00052848
SMILES:
CC(=O)C=Cc1ccc(cc1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
247  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
2  
XLogP3:
3  

Downstream Synthesis Route

[1]Zhang,Deliang;Iwai,Tomohiro;Sawamura,Masaya[OrganicLetters,2019,vol.21,#15,p.5867-5872]

[2]Locationinpatent:schemeortableAshfeld,BrandonL.;Kosal,AndrewD.[OrganicLetters,2010,vol.12,#1,p.44-47]

[3]Fei,Jun;Wang,Zhen;Cai,Zheren;Sun,Hao;Cheng,Xu[AdvancedSynthesisandCatalysis,2015,vol.357,#18,p.4063-4068]

[4]Cheng,Can;Ning,Xianling;Luo,Yongming;Tian,Chao;Wang,Xiaowei;Guo,Ying;Liu,Junyi;Zhang,Zhili[MedicinalChemistryResearch,2016,vol.25,#8,p.1678-1685]

186534-02-1    80992-93-4   
(1E,4E)-1-(4-(trifluoromethyl)phenyl)-5-(3,5,6-trimethylpyrazin-2-yl)penta-1,4-dien-3-one 

[1]JournalofMedicinalChemistry,2016,vol.59,p.1747-1760

Literature

Title: Quantum chemical- and 3-D-QSAR (CoMFA) studies of benzalacetones and 1,1,1-trifluoro-4-phenyl-3-buten-2-ones.

Journal: Bioorganic & medicinal chemistry letters 20020902

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SDS
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