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2386-28-9,MFCD00022374
Catalog No.:AA00I4JB

2386-28-9 | 4-Acetyl-3,5-dimethyl-1h-pyrrole-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10g
95%
in stock  
$118.00   $83.00
- +
50g
95%
in stock  
$290.00   $203.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00I4JB
Chemical Name:
4-Acetyl-3,5-dimethyl-1h-pyrrole-2-carboxylic acid
CAS Number:
2386-28-9
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD00022374
SMILES:
CC(=O)c1c(C)[nH]c(c1C)C(=O)O
NSC Number:
10760
Properties
Computed Properties
 
Complexity:
239  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1  

Downstream Synthesis Route
2199-44-2    2386-28-9   
4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylicacidethylester 

[1]Beshara,CoryS.;Thompson,Alison[JournalofOrganicChemistry,2005,vol.70,#25,p.10607-10610]

[1]Axelsson,Linda;Veron,Jean-Baptiste;Sävmarker,Jonas;Lindh,Jonas;Odell,LukeR.;Larhed,Mats[TetrahedronLetters,2014,vol.55,#15,p.2376-2380]

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole.

Journal: Acta crystallographica. Section C, Crystal structure communications 20050901

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SDS
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