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115665-96-8,MFCD00176733
Catalog No.:AA000GMP

115665-96-8 | (E)-1-(2-Nitrovinyl)-3-(trifluoromethyl)benzene

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250mg
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  • Technical Information
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  • Upstream Synthesis Route
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000GMP
Chemical Name:
(E)-1-(2-Nitrovinyl)-3-(trifluoromethyl)benzene
CAS Number:
115665-96-8
Molecular Formula:
C9H6F3NO2
Molecular Weight:
217.1446
MDL Number:
MFCD00176733
SMILES:
[O-][N+](=O)/C=C/c1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
257  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
1  
XLogP3:
3.1  

Upstream Synthesis Route

[1]AustralianJournalofChemistry,1976,vol.29,p.2607-2614

[2]CatalysisScienceandTechnology,2016,vol.6,#14,p.5714-5720

Downstream Synthesis Route

[1]AustralianJournalofChemistry,1976,vol.29,p.2607-2614

[2]Catalysisscienceandtechnology,2016,vol.6,p.5714-5720

[1]Menicagli,Rita;Samaritani,Simona[Tetrahedron,1996,vol.52,#4,p.1425-1432]

[2]Chen,Haifeng;Han,Xinya;Qin,Nian;Wei,Lin;Yang,Yue;Rao,Li;Chi,Bo;Feng,Lingling;Ren,Yanliang;Wan,Jian[BioorganicandMedicinalChemistry,2016,vol.24,#6,p.1225-1230]

[3]Chen,Haifeng;Guo,Yanrong;Han,Xinya;Hu,Wei;Huang,Yunyuan;Ren,Yanliang;Tang,Zilong;Wang,Qi;Wei,Lin;Xia,Qinfei;Yan,Jufen[Bioorganicandmedicinalchemistry,2020,vol.28,#18]

[4]CurrentPatentAssignee:FMCCORP-WO2016/196593,2016,A1Locationinpatent:Page/Pagecolumn64

[5]CurrentPatentAssignee:FMCCORP-WO2015/84796,2015,A1Locationinpatent:Page/Pagecolumn44;45

[6]CurrentPatentAssignee:FMCCORP-US2020/367494,2020,A1Locationinpatent:Paragraph0233;0234

[7]Gao,Fengyun;Guo,Yifei;Sun,Mengmeng;Wang,Yalan;Yang,Changyan;Wang,Yuqiang;Wang,Kairong;Yan,Wenjin[OrganicLetters,2021,vol.23,#7,p.2584-2589]

[1]OrganicLetters,2008,vol.10,p.1307-1310

115665-96-8    123-54-6   
(R)-3-1-(3-trifluoromethylphenyl)-2-nitroethylpentane-2,4-dione 
 
C14H14F3NO4 

[1]EuropeanJournalofOrganicChemistry,2008,p.4563-4566

90-44-8    115665-96-8   
9-(2-nitro-1-(3-(trifluoromethyl)phenyl)ethyl)anthracen-10(9H)-one 

[1]TetrahedronAsymmetry,2009,vol.20,p.2397-2402

Literature
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Tags:115665-96-8 Molecular Formula|115665-96-8 MDL|115665-96-8 SMILES|115665-96-8 (E)-1-(2-Nitrovinyl)-3-(trifluoromethyl)benzene