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Home Amines 444111-26-6
444111-26-6,MFCD03196344
Catalog No.:AA0071P8

444111-26-6 | 1-(7-AMINO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)BUTAN-1-ONE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
95%
in stock  
$321.00   $225.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0071P8
Chemical Name:
1-(7-AMINO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)BUTAN-1-ONE
CAS Number:
444111-26-6
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD03196344
SMILES:
CCCC(=O)c1cc2OCCOc2cc1N
Properties
Computed Properties
 
Complexity:
257  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2  

Downstream Synthesis Route
1711-09-7    444111-26-6   
3-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide 

[1]Mochalov;Fedotov;Trofimova;Zefirov[RussianJournalofOrganicChemistry,2016,vol.52,#7,p.956-969][Zh.Org.Khim.,2016,vol.52,#7,p.964-976,14]

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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Tags:444111-26-6 Molecular Formula|444111-26-6 MDL|444111-26-6 SMILES|444111-26-6 1-(7-AMINO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)BUTAN-1-ONE