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Home Other Building Blocks 52129-98-3
52129-98-3,MFCD18970065
Catalog No.:AA00DRCM

52129-98-3 | 4-Propanoylbenzonitrile

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Purity
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Price(USD)
Quantity
  
5g
95%
in stock  
$596.00   $417.00
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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:
AA00DRCM
Chemical Name:
4-Propanoylbenzonitrile
CAS Number:
52129-98-3
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD18970065
SMILES:
CCC(=O)c1ccc(cc1)C#N
Properties
Computed Properties
 
Complexity:
205  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Patent:WO2008/114054,2008,A1.Locationinpatent:Page/Pagecolumn40

[2]Patent:US2009/23748,2009,A1.Locationinpatent:Page/Pagecolumn15

p-Cyan-α-methyl-epoxyzimtsaeure-methylester 
  52129-98-3    58949-75-0 

[1]Synthesis,2008,p.1221-1226

[1]JournalofMedicinalChemistry,2018,vol.61,p.11221-11249

[2]Patent:WO2010/34788,2010,A1.Locationinpatent:Page/Pagecolumn25-26

[3]Patent:WO2010/34789,2010,A1.Locationinpatent:Page/Pagecolumn21

Literature

Title: Chemoselective synthesis of ketones and ketimines by addition of organometallic reagents to secondary amides.

Journal: Nature chemistry 20120221

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SDS
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