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28447-20-3,MFCD00157038
Catalog No.:AA007KIM

28447-20-3 | 3-Vinylbenzoic acid

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1g
96%
in stock  
$79.00   $55.00
- +
5g
96%
in stock  
$278.00   $195.00
- +
25g
96%
in stock  
$1,208.00   $846.00
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  • Technical Information
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  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA007KIM
Chemical Name:
3-Vinylbenzoic acid
CAS Number:
28447-20-3
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
MDL Number:
MFCD00157038
SMILES:
C=Cc1cccc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
163  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.8  

Downstream Synthesis Route

[1]ThejournaloftheSocietyofChemicalIndustry,Japan.Supplementalbinding.,1943,vol.46,p.125

[1]CurrentPatentAssignee:SumitomoChemical(w/oDongwooFine-Chem);SumitomoPharma(in:SumitomoChemical);SUMITOMOCHEMICALCOMPANYLIMITED;ASTRAZENECAPLC-EP1728792,2006,A1Locationinpatent:Page/Pagecolumn123

[1]Heinrich,Timo;Sala-Hojman,Ada;Ferretti,Roberta;Petersson,Carl;Minguzzi,Stefano;Gondela,Andrzej;Ramaswamy,Shivapriya;Bartosik,Anna;Czauderna,Frank;Crowley,Lindsey;Wahra,Pamela;Schilke,Heike;Böpple,Pia;Dudek,Łukasz;Leś,Marcin;Niedziejko,Paulina;Olech,Kamila;Pawlik,Henryk;Włoszczak,Łukasz;Zuchowicz,Karol;SuarezAlvarez,JoseRamon;Martyka,Justyna;Sitek,Ewa;Mikulski,Maciej;Szczȩśniak,Joanna;Jäckel,Sven;Krier,Mireille;Król,Marcin;Wegener,Ansgar;Gałȩzowski,Michał;Nowak,Mateusz;Becker,Frank;Herhaus,Christian[JournalofMedicinalChemistry,2021,vol.64,#16,p.11904-11933]

[2]Locationinpatent:experimentalpartErdelyi,Mate;Varedian,Miranda;Skoeld,Christian;Niklasson,IdaB.;Nurbo,Johanna;Persson,Asa;Bergquist,Jonas;Gogoll,Adolf[OrganicandBiomolecularChemistry,2008,vol.6,#23,p.4356-4373]

[3]Suslick,BenjaminA.;Tilley,T.Don[OrganicLetters,2021,vol.23,#4,p.1495-1499]

28447-20-3    2140-11-6   
((3aR,4R,6R,6aR)-2,2-dimethyl-6-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuro3,4-d1,3dioxol-4-yl)methyl3-(3-oxo-3-(2-(trifluoromethyl)phenyl)prop-1-en-1-yl)benzoate 
 
((3aR,4R,6R,6aR)-2,2-dimethyl-6-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuro3,4-d1,3dioxol-4-yl)methyl3-((E)-3-oxo-3-(2-(trifluoromethyl)phenyl)prop-1-en-1-yl)benzoate 

[1]AngewandteChemie-InternationalEdition,2019,vol.58,p.7318-7323    Angew.Chem.,2019,vol.131,p.7396-7401,6

28447-20-3    2140-11-6   
((3aR,4R,6R,6aR)-2,2-dimethyl-6-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuro3,4-d1,3dioxol-4-yl)methyl3-vinylbenzoate 

[1]AngewandteChemie-InternationalEdition,2019,vol.58,p.7318-7323    Angew.Chem.,2019,vol.131,p.7396-7401,6

Literature
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Tags:28447-20-3 Molecular Formula|28447-20-3 MDL|28447-20-3 SMILES|28447-20-3 3-Vinylbenzoic acid