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120122-47-6,MFCD03789117
Catalog No.:AA000QA5

120122-47-6 | 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)ethanone

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250mg
95%
in stock  
$9.00   $7.00
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1g
95%
in stock  
$19.00   $14.00
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5g
95%
in stock  
$42.00   $29.00
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25g
98%
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$194.00   $136.00
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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:
AA000QA5
Chemical Name:
2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)ethanone
CAS Number:
120122-47-6
Molecular Formula:
C7H5Cl3N2O3
Molecular Weight:
271.4852
MDL Number:
MFCD03789117
SMILES:
O=C(C(Cl)(Cl)Cl)c1cc(cn1C)[N+](=O)[O-]
NSC Number:
742396
Properties
Computed Properties
 
Complexity:
286  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
2.4  

Downstream Synthesis Route

[1]Nishiwaki,Eiji;Tanaka,Shigeaki;Lee,Hideaki;Shibuya,Masayuki[Heterocycles,1988,vol.27,#8,p.1945-1952]

[2]Moore,MichaelJ.B.;Cuenca,Francisco;Searcey,Mark;Neidle,Stephen[OrganicandBiomolecularChemistry,2006,vol.4,#18,p.3479-3488]

[1]Nishiwaki,Eiji;Tanaka,Shigeaki;Lee,Hideaki;Shibuya,Masayuki[Heterocycles,1988,vol.27,#8,p.1945-1952]

[2]Brucoli,Federico;Guzman,JuanD.;Maitra,Arundhati;James,ColinH.;Fox,KeithR.;Bhakta,Sanjib[BioorganicandMedicinalChemistry,2015,vol.23,#13,p.3705-3711]

[3]Bando,Toshikazu;Narita,Akihiko;Saito,Isao;Sugiyama,Hiroshi[JournaloftheAmericanChemicalSociety,2003,vol.125,#12,p.3471-3485]

[4]Sharma,SanjayK.;Tandon,Manju;Lown,J.William[EuropeanJournalofOrganicChemistry,2000,#11,p.2095-2103]

[5]Wender;Jeon[Organicletters,1999,vol.1,#13,p.2117-2120]

[6]Locationinpatent:schemeortableHan,Xiaochun;Li,Chun;Mosher,MichaelD.;Rider,KevinC.;Zhou,Peiwen;Crawford,RonaldL.;Fusco,William;Paszczynski,Andrzej;Natale,NicholasR.[BioorganicandMedicinalChemistry,2009,vol.17,#4,p.1671-1680]

[7]LaPensee,Louise;Sabbani,Sunil;Sharma,Raman;Bhamra,Inder;Shore,Emma;Chadwick,AmyE.;Berry,NeilG.;Firman,James;Araujo,NunaC.;Cabral,Lilia;Cristiano,MariaL.S.;Bateman,Cerys;Janneh,Omar;Gavrila,Adelina;Wu,YiHang;Hussain,Afthab;Ward,StephenA.;Stocks,PaulA.;Cosstick,Rick;O'Neill,PaulM.[ChemMedChem,2013,vol.8,#5,p.709-718]

[8]CurrentPatentAssignee:GOVERNMENTOFTHEUNITEDSTATES-WO2005/32594,2005,A2Locationinpatent:Page/Pagecolumn5;29-30

[1]Nishiwaki,Eiji;Tanaka,Shigeaki;Lee,Hideaki;Shibuya,Masayuki[Heterocycles,1988,vol.27,#8,p.1945-1952]

[2]Rahman,KhondakerM.;Jackson,PaulJ.M.;James,ColinH.;Basu,B.Piku;Hartley,JohnA.;DeLaFuente,Maria;Schatzlein,Andreas;Robson,Mathew;Pedley,R.Barbara;Pepper,Chris;Fox,KeithR.;Howard,PhilipW.;Thurston,DavidE.[JournalofMedicinalChemistry,2013,vol.56,#7,p.2911-2935]

[3]Bando,Toshikazu;Narita,Akihiko;Saito,Isao;Sugiyama,Hiroshi[JournaloftheAmericanChemicalSociety,2003,vol.125,#12,p.3471-3485]

[4]Sharma,SanjayK.;Tandon,Manju;Lown,J.William[EuropeanJournalofOrganicChemistry,2000,#11,p.2095-2103]

[5]Wender;Jeon[Organicletters,1999,vol.1,#13,p.2117-2120]

[6]Locationinpatent:experimentalpartVooturi,SunilK.;Cheung,ChrissyM.;Rybak,MichaelJ.;Firestine,StevenM.[JournalofMedicinalChemistry,2009,vol.52,#16,p.5020-5031]

[7]Rahman,KhondakerM.;Reszka,AnthonyP.;Gunaratnam,Mekala;Haider,ShozebM.;Howard,PhilipW.;Fox,KeithR.;Neidle,Stephen;Thurston,DavidE.[ChemicalCommunications,2009,#27,p.4097-4099]

[8]Brucoli,Federico;Guzman,JuanD.;Maitra,Arundhati;James,ColinH.;Fox,KeithR.;Bhakta,Sanjib[BioorganicandMedicinalChemistry,2015,vol.23,#13,p.3705-3711]

[9]LaPensee,Louise;Sabbani,Sunil;Sharma,Raman;Bhamra,Inder;Shore,Emma;Chadwick,AmyE.;Berry,NeilG.;Firman,James;Araujo,NunaC.;Cabral,Lilia;Cristiano,MariaL.S.;Bateman,Cerys;Janneh,Omar;Gavrila,Adelina;Wu,YiHang;Hussain,Afthab;Ward,StephenA.;Stocks,PaulA.;Cosstick,Rick;O'Neill,PaulM.[ChemMedChem,2013,vol.8,#5,p.709-718]

[10]Seio,Kohji;Mizuta,Masahiro;Terada,Takeshi;Sekine,Mitsuo[JournalofOrganicChemistry,2005,vol.70,#25,p.10311-10322]

[11]CurrentPatentAssignee:JAPANSCIENCEANDTECHNOLOGYAGENCY-EP1719777,2006,A1Locationinpatent:Page/Pagecolumn17;20

[12]Sharma,SanjayK.;Tandon,Manju;Lown,J.William[JournalofOrganicChemistry,2000,vol.65,#4,p.1102-1107]

[13]Hotzel,Christian;Marotto,Annalisa;Pindur,Ulf[EuropeanJournalofMedicinalChemistry,2003,vol.38,#2,p.189-197]

[14]Locationinpatent:schemeortableHan,Xiaochun;Li,Chun;Mosher,MichaelD.;Rider,KevinC.;Zhou,Peiwen;Crawford,RonaldL.;Fusco,William;Paszczynski,Andrzej;Natale,NicholasR.[BioorganicandMedicinalChemistry,2009,vol.17,#4,p.1671-1680]

[15]Locationinpatent:schemeortableLiu,Meng-Chi;Ong,ChiWi[Tetrahedron,2009,vol.65,#40,p.8389-8392]

[16]Locationinpatent:schemeortableOng,ChiWi;Yang,Ya-Ting;Liu,Meng-Chi;Fox,KeithR.;Liu,PingHao;Tung,Hung-Wei[OrganicandBiomolecularChemistry,2012,vol.10,#5,p.1040-1046]

[17]CurrentPatentAssignee:GOVERNMENTOFTHEUNITEDSTATES-WO2005/32594,2005,A2Locationinpatent:Page/Pagecolumn5;29-30

[1]Nishiwaki,Eiji;Tanaka,Shigeaki;Lee,Hideaki;Shibuya,Masayuki[Heterocycles,1988,vol.27,#8,p.1945-1952]

[2]Valík,Martin;Malina,Jaroslav;Palivec,Lukáš;Foltýnová,Jarmila;Tkadlecová,Marcela;Urbanová,Marie;Brabec,Viktor;Král,Vladimír[Tetrahedron,2006,vol.62,#36,p.8591-8600]

[1]Huang,Liren;Lown,J.William[Heterocycles,1995,vol.41,#6,p.1181-1196]

[2]CurrentPatentAssignee:UNIVERSITYOFSASKATCHEWAN-WO2007/45096,2007,A1Locationinpatent:Page/Pagecolumn45;87-88

Literature

Title: Synergetic DNA-cleaving activities of the metal complexes of a polyether-tethered pyrrole-polyamide dimer.

Journal: Chemistry & biodiversity 20120601

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SDS
Tags:120122-47-6 Molecular Formula|120122-47-6 MDL|120122-47-6 SMILES|120122-47-6 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)ethanone |Heterocyclic_Building_Blocks