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Home Amines 36242-50-9
36242-50-9,MFCD09862450
Catalog No.:AA00CIPY

36242-50-9 | Methyl 4-(methylamino)-3-nitrobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$37.00   $26.00
- +
5g
98%
in stock  
$70.00   $49.00
- +
10g
98%
in stock  
$107.00   $75.00
- +
25g
98%
in stock  
$211.00   $148.00
- +
100g
98%
in stock  
$809.00   $567.00
- +
  • 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:
AA00CIPY
Chemical Name:
Methyl 4-(methylamino)-3-nitrobenzoate
CAS Number:
36242-50-9
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
MDL Number:
MFCD09862450
SMILES:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])NC
Properties
Computed Properties
 
Complexity:
251  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.1  

Upstream Synthesis Route

[1]Patent:WO2014/15905,2014,A1,.Locationinpatent:Page/Pagecolumn50;51

[2]Patent:US2015/175600,2015,A1,.Locationinpatent:Paragraph0392;0393;0394

[3]Patent:WO2016/185279,2016,A1,.Locationinpatent:Page/Pagecolumn109

[1]Patent:EP1502916,2005,A1,.Locationinpatent:Page440

[2]Patent:WO2007/69053,2007,A1,.Locationinpatent:Page/Pagecolumn34

[3]Patent:WO2008/65508,2008,A1,.Locationinpatent:Page/Pagecolumn32-33;38-40

[4]Patent:WO2017/147102,2017,A1,.Locationinpatent:Paragraph00126-00127

[5]Patent:WO2017/100594,2017,A1,.Locationinpatent:Paragraph00132

[6]Patent:WO2018/22897,2018,A1,.Locationinpatent:Paragraph00129;00130;00131

[7]Patent:WO2010/142402,2010,A1,.Locationinpatent:Page/Pagecolumn112

[8]ChineseChemicalLetters,2017,vol.28,#4,p.919-926

[9]Patent:WO2010/100249,2010,A1,.Locationinpatent:Page/Pagecolumn82

[10]BioorganicandMedicinalChemistry,2005,vol.13,#5,p.1587-1597

[11]Patent:EP1595866,2005,A1,.Locationinpatent:Page/Pagecolumn26

[12]HeterocyclicCommunications,2001,vol.7,#5,p.455-460

[13]Chem.Abstr.,1978,vol.89,#61044,

[14]TetrahedronLetters,2002,vol.43,#41,p.7303-7306

[15]Patent:US2003/130265,2003,A1,

[16]Patent:WO2004/99131,2004,A2,.Locationinpatent:Page54

[17]Patent:US2014/309427,2014,A1,.Locationinpatent:Paragraph0166;0167

[18]Chem.Abstr.,1979,vol.90,#7597,

[19]Chem.Abstr.,vol.89,#61044,

[1]Patent:EP1595866,2005,A1,.Locationinpatent:Page/Pagecolumn26

[1]Patent:WO2017/100594,2017,A1,.Locationinpatent:Paragraph00130

[2]Patent:WO2018/22897,2018,A1,.Locationinpatent:Paragraph00126;00127;00128

[3]Patent:WO2017/147102,2017,A1,.Locationinpatent:Paragraph00124-00125

[1]Patent:EP1502916,2005,A1,.Locationinpatent:Page440

[2]Patent:WO2004/99131,2004,A2,.Locationinpatent:Page53-54

[3]ChemistryandBiodiversity,2012,vol.9,#11,p.2507-2527

[4]TetrahedronLetters,2002,vol.43,#41,p.7303-7306

Downstream Synthesis Route

[1]Patent:EP1502916,2005,A1.Locationinpatent:Page440

[2]Patent:WO2007/69053,2007,A1.Locationinpatent:Page/Pagecolumn34

[3]Patent:WO2008/65508,2008,A1.Locationinpatent:Page/Pagecolumn32-33;38-40

[4]Patent:WO2017/147102,2017,A1.Locationinpatent:Paragraph00126-00127

[5]Patent:WO2017/100594,2017,A1.Locationinpatent:Paragraph00132

[6]Patent:WO2018/22897,2018,A1.Locationinpatent:Paragraph00129;00130;00131

[7]Patent:WO2010/142402,2010,A1.Locationinpatent:Page/Pagecolumn112

[8]ChineseChemicalLetters,2017,vol.28,p.919-926

[9]Patent:WO2010/100249,2010,A1.Locationinpatent:Page/Pagecolumn82

[10]BioorganicandMedicinalChemistry,2005,vol.13,p.1587-1597

[11]Patent:EP1595866,2005,A1.Locationinpatent:Page/Pagecolumn26

[12]HeterocyclicCommunications,2001,vol.7,p.455-460

[13]TetrahedronLetters,2002,vol.43,p.7303-7306

[14]Patent:US2003/130265,2003,A1

[15]Patent:WO2004/99131,2004,A2.Locationinpatent:Page54

[16]Patent:US2014/309427,2014,A1.Locationinpatent:Paragraph0166;0167

[17]Patent:DD137939,1979,    Patent:DE2807008,1978,    Chem.Abstr.,1979,vol.90

[18]BioorganicChemistry,2020,vol.95

[1]Patent:EP1595866,2005,A1.Locationinpatent:Page/Pagecolumn26

[1]ChineseChemicalLetters,2017,vol.28,p.919-926

[2]Patent:WO2010/100249,2010,A1.Locationinpatent:Page/Pagecolumn82

[1]Patent:WO2014/15905,2014,A1.Locationinpatent:Page/Pagecolumn50;51

[2]Patent:US2015/175600,2015,A1.Locationinpatent:Paragraph0392;0393;0394

[3]Patent:WO2016/185279,2016,A1.Locationinpatent:Page/Pagecolumn109

[1]CurrentPatentAssignee:WAYNESTATEUNIVERSITY-US2014/309427,2014,A1

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2017/147102,2017,A1

[3]CurrentPatentAssignee:PFIZERINC-WO2008/65508,2008,A1

Literature

Title: Ligand based virtual screening and biological evaluation of inhibitors of chorismate mutase (Rv1885c) from Mycobacterium tuberculosis H37Rv.

Journal: Bioorganic & medicinal chemistry letters 20070601

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