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4120-68-7,MFCD02171173
Catalog No.:AA00JY7Q

4120-68-7 | 1-Isobutyl-1H-pyrrole-2,5-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$36.00   $26.00
- +
2g
95%
in stock  
$68.00   $48.00
- +
5g
95%
in stock  
$165.00   $116.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00JY7Q
Chemical Name:
1-Isobutyl-1H-pyrrole-2,5-dione
CAS Number:
4120-68-7
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD02171173
SMILES:
CC(CN1C(=O)C=CC1=O)C
NSC Number:
55578
Properties
Computed Properties
 
Complexity:
200  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1.9  

Downstream Synthesis Route
109-97-7    4120-68-7   
2-isobutyl-3a,4,7,7a-tetrahydro-4,7-epimino-isoindole-1,3-dione 

[1]CurrentPatentAssignee:I.G.FARBENINDUSTRIEAG(historic)-US2262002,1939,A

110-44-1    4120-68-7   
(+/-)-2-isobutyl-7ξ-methyl-1,3-dioxo-(3a<i>r</i>,7a<i>c</i>)-1,3,3a,4,7,7a-hexahydro-isoindole-4ξ-carboxylicacid 

[1]Crombie;Manzoor-i-Khuda[JournaloftheChemicalSociety,1957,p.2767,2774]

4120-68-7    14261-34-8   
2-isobutyl-5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-isoindole-4-carboxylicacid 

[1]Crombie;Manzoor-i-Khuda[JournaloftheChemicalSociety,1957,p.2767,2774]

4120-68-7    5810-88-8   
dithiophosphoricacid<i>O</i>,<i>O</i>'-bis-(2-ethyl-hexylester)-<i>S</i>-(1-isobutyl-2,5-dioxo-pyrrolidin-3-ylester) 

[1]CurrentPatentAssignee:PFIZERINC-US2644002,1951,A

[1]CurrentPatentAssignee:I.G.FARBENINDUSTRIEAG(historic)-DE710131,1938,C[DRP/DRBPOrg.Chem.][DRP/DRBPOrg.Chem.]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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