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111468-90-7,MFCD00141837
Catalog No.:AA00827I

111468-90-7 | 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>95%
1 week  
$299.00   $209.00
- +
5mg
>95%
1 week  
$319.00   $223.00
- +
10mg
>95%
1 week  
$358.00   $250.00
- +
1g
95%+
1 week  
$430.00   $301.00
- +
5g
95%+
1 week  
$1,126.00   $788.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00827I
Chemical Name:
1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one
CAS Number:
111468-90-7
Molecular Formula:
C9H8Cl3NO2
Molecular Weight:
268.5243
MDL Number:
MFCD00141837
SMILES:
CCC(=O)c1c[nH]c(c1)C(=O)C(Cl)(Cl)Cl
Properties
Computed Properties
 
Complexity:
275  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Nagamaiah,Jodukathula;Dutta,Arnab;Pati,NarendraNath;Sahoo,Sameeta;Soman,Rahul;Panda,PradeeptaK.[JournalofOrganicChemistry,2022,vol.87,#5,p.2721-2729]

[2]Garrido,DanielO.A.;Buldain,Graciela;Ojea,MariaI.;Frydman,Benjamin[JournalofOrganicChemistry,1988,vol.53,#2,p.403-407]

[3]Locationinpatent:experimentalpartAronov,AlexM.;Qing,Tang;Martinez-Botella,Gabriel;Bemis,GuyW.;Cao,Jingrong;Chen,Guanjing;Ewing,NigelP.;Ford,PamellaJ.;Germann,UrsulaA.;Green,Jeremy;Hale,MichaelR.;Jacobs,Marc;Janetka,JamesW.;Maltais,Francois;Markland,William;Namchuk,MarkN.;Nanthakumar,Suganthini;Poondru,Srinivasu;Straub,Judy;TerHaar,Ernst;Xiaoling,Xie[JournalofMedicinalChemistry,2009,vol.52,#20,p.6362-6368]

[4]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2006/160807,2006,A1Locationinpatent:Page/Pagecolumn22-23

[5]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2003/91246,2003,A1Locationinpatent:Page/Pagecolumn44

[6]Nagamaiah,Jodukathula;Dutta,Arnab;Sahoo,SipraSucharita;Sahoo,Sameeta;Panda,PradeeptaK.[NewJournalofChemistry,2022,vol.46,#30,p.14586-14596]

[1]Garrido,DanielO.A.;Buldain,Graciela;Ojea,MariaI.;Frydman,Benjamin[JournalofOrganicChemistry,1988,vol.53,#2,p.403-407]

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2003/91246,2003,A1Locationinpatent:Page/Pagecolumn45

20989-17-7    111468-90-7   
N-((S)-2-hydroxy-1-phenylethyl)-4-propionyl-1H-pyrrole-2-carboxamide 

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2006/160807,2006,A1Locationinpatent:Page/Pagecolumn22-23

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2003/92714,2003,A1

Literature
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SDS
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Tags:111468-90-7 Molecular Formula|111468-90-7 MDL|111468-90-7 SMILES|111468-90-7 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one