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Home Deuterated Building Blocks 21091-98-5
21091-98-5,MFCD00585638
Catalog No.:AA002KZ9

21091-98-5 | (4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$86.00   $60.00
- +
1g
98%
in stock  
$87.00   $61.00
- +
5g
98%
in stock  
$245.00   $171.00
- +
10g
98%
in stock  
$411.00   $288.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002KZ9
Chemical Name:
(4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone
CAS Number:
21091-98-5
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
MDL Number:
MFCD00585638
SMILES:
CN1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
313  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
1  
XLogP3:
0.2  

Upstream Synthesis Route

[1]Patent:WO2012/59932,2012,A1,.Locationinpatent:Page/Pagecolumn121

[2]BioorganicandMedicinalChemistryLetters,2018,vol.28,#9,p.1615-1620

[3]Patent:WO2012/58671,2012,A1,.Locationinpatent:Page/Pagecolumn80

[4]Patent:WO2004/26829,2004,A2,.Locationinpatent:Page/Pagecolumn96

[5]Chemistry-AnAsianJournal,2017,vol.12,#7,p.785-791

[6]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1981,vol.20,#8,p.680-682

[7]Patent:US2008/214558,2008,A1,.Locationinpatent:Page/Pagecolumn23-24

[8]Patent:WO2004/63195,2004,A1,.Locationinpatent:Page60-61

[9]BioorganicandMedicinalChemistryLetters,2010,vol.20,#9,p.2740-2744

[10]Patent:WO2010/80474,2010,A1,.Locationinpatent:Page/Pagecolumn134

[11]Patent:WO2010/71885,2010,A1,.Locationinpatent:Page/Pagecolumn461

[12]EuropeanJournalofMedicinalChemistry,2011,vol.46,#7,p.2917-2929

[13]Patent:US2012/277220,2012,A1,.Locationinpatent:Page/Pagecolumn15-16

[14]Patent:US2018/223077,2018,A1,.Locationinpatent:Paragraph0116;0118

[1]Patent:US2018/223077,2018,A1,.Locationinpatent:Paragraph0116-0117

[2]Patent:US2008/214558,2008,A1,.Locationinpatent:Page/Pagecolumn23-24

[3]Patent:WO2004/26829,2004,A2,.Locationinpatent:Page/Pagecolumn94

[4]Patent:WO2004/63195,2004,A1,.Locationinpatent:Page60

[5]BioorganicandMedicinalChemistryLetters,2010,vol.20,#9,p.2740-2744

[6]Patent:WO2010/80474,2010,A1,.Locationinpatent:Page/Pagecolumn133

[7]EuropeanJournalofMedicinalChemistry,2011,vol.46,#7,p.2917-2929

[1]Patent:WO2012/58671,2012,A1,.Locationinpatent:Page/Pagecolumn79

[2]BioorganicandMedicinalChemistryLetters,2018,vol.28,#9,p.1615-1620

[3]Patent:WO2012/59932,2012,A1,.Locationinpatent:Page/Pagecolumn120-121

[4]Patent:WO2010/71885,2010,A1,.Locationinpatent:Page/Pagecolumn461

[5]Patent:US2012/277220,2012,A1,.Locationinpatent:Page/Pagecolumn15

[1]Patent:WO2012/58671,2012,A1,.Locationinpatent:Page/Pagecolumn81

[1]Patent:US2010/29675,2010,A1,

Downstream Synthesis Route

[1]Patent:WO2012/59932,2012,A1.Locationinpatent:Page/Pagecolumn121

[2]BioorganicandMedicinalChemistryLetters,2018,vol.28,p.1615-1620

[3]Patent:WO2012/58671,2012,A1.Locationinpatent:Page/Pagecolumn80

[4]Patent:WO2004/26829,2004,A2.Locationinpatent:Page/Pagecolumn96

[5]Chemistry-AnAsianJournal,2017,vol.12,p.785-791

[6]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1981,vol.20,p.680-682

[7]Patent:US2008/214558,2008,A1.Locationinpatent:Page/Pagecolumn23-24

[8]Patent:WO2004/63195,2004,A1.Locationinpatent:Page60-61

[9]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.2740-2744

[10]Patent:WO2010/80474,2010,A1.Locationinpatent:Page/Pagecolumn134

[11]Patent:WO2010/71885,2010,A1.Locationinpatent:Page/Pagecolumn461

[12]EuropeanJournalofMedicinalChemistry,2011,vol.46,p.2917-2929

[13]Patent:US2012/277220,2012,A1.Locationinpatent:Page/Pagecolumn15-16

[14]Patent:US2018/223077,2018,A1.Locationinpatent:Paragraph0116;0118

[15]EuropeanJournalofMedicinalChemistry,2019,vol.176,p.248-267

[16]InternationalJournalofMolecularSciences,2019,vol.20

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1981,vol.20,p.680-682

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1981,vol.20,p.680-682

[1]Patent:US2018/223077,2018,A1.Locationinpatent:Paragraph0116-0117

[2]Patent:US2008/214558,2008,A1.Locationinpatent:Page/Pagecolumn23-24

[3]Patent:WO2004/26829,2004,A2.Locationinpatent:Page/Pagecolumn94

[4]Patent:WO2004/63195,2004,A1.Locationinpatent:Page60

[5]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.2740-2744

[6]Patent:WO2010/80474,2010,A1.Locationinpatent:Page/Pagecolumn133

[7]EuropeanJournalofMedicinalChemistry,2011,vol.46,p.2917-2929

Literature
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SDS
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