Name: Name:Methyl 2-methyl-5-nitrobenzoate
Brand: AABLOCKS
SKU: AA003RVB
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA003RVB

Chemical Name: Methyl 2-methyl-5-nitrobenzoate

CAS Number: 77324-87-9

Molecular Formula: C9H9NO4

Molecular Weight: 195.1721

MDL Number: MFCD00230865

SMILES: COC(=O)c1cc(ccc1C)[N+](=O)[O-]

Properties

BP: 305.4 °C at 760 mmHg

Form: Solid

MP: 67.0 to 71.0 °C

Storage: Room Temperature;

Complexity: 236

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 14

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2

60:

Upstream Synthesis Route

89-71-4

59382-59-1

77324-87-9

[1]Tetrahedron,2008,vol.64,#14,p.3253-3267

89-71-4

7697-37-2

59382-59-1

77324-87-9

[1]RecueildesTravauxChimiquesdesPays-Bas,1901,vol.20,p.169

89-71-4

1975-50-4

77324-87-9

[1]RecueildesTravauxChimiquesdesPays-Bas,1901,vol.20,p.169

77324-87-9

1975-52-6

[1]BioorganicandMedicinalChemistryLetters,2008,vol.18,#23,p.6273-6278

[2]Patent:WO2006/117669,2006,A1,.Locationinpatent:Page/Pagecolumn41;114

[3]Organicletters,2000,vol.2,#19,p.2931-2934

1975-52-6

74-88-4

77324-87-9

[1]JournaloftheAmericanChemicalSociety,2003,vol.125,#40,p.12074-12075

[2]Patent:US6344465,2002,B1,.Locationinpatent:Pagecolumn32

[3]BioorganicandMedicinalChemistry,2015,vol.23,#17,p.5881-5890

[4]Patent:US2005/43385,2005,A1,.Locationinpatent:Page/Pagecolumn14

[5]Patent:US2001/34343,2001,A1,

[6]Patent:US5861417,1999,A,

[7]Patent:EP946548,2002,B1,

[8]Patent:US6194406,2001,B1,

[9]Patent:US6423704,2002,B1,

[10]Patent:US6211199,2001,B1,

Downstream Synthesis Route

67-56-1

50825-99-5

77324-87-9

[1]Pfeiffer;Matton[ChemischeBerichte,1911,vol.44,p.1122]

77324-87-9

18595-12-5

[1]JournaloftheAmericanChemicalSociety,2003,vol.125,p.12074-12075

[2]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.2823-2827

[3]Patent:WO2004/18414,2004,A2.Locationinpatent:Page110

[4]JournalofMedicinalChemistry,2009,vol.52,p.5228-5240

[5]Patent:US2011/269834,2011,A1.Locationinpatent:Page/Pagecolumn29

[6]JournalofMedicinalChemistry,2011,vol.54,p.635-654

[7]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.634-639

[8]JournalofMedicinalChemistry,1991,vol.34,p.2176-2186

[9]Tetrahedron,2008,vol.64,p.3253-3267

[10]Patent:US6689922,2004,B1.Locationinpatent:Pagecolumn86

[11]BulletindelaSocieteScientifiquedeBretagne,1956,vol.31,p.SonderheftS.9,41

[12]Patent:US2005/43385,2005,A1.Locationinpatent:Page/Pagecolumn14

[13]Patent:WO2006/63805,2006,A1.Locationinpatent:Page/Pagecolumn76

[14]Patent:WO2007/71955,2007,A1.Locationinpatent:Page/Pagecolumn52

[15]Patent:US2009/239859,2009,A1.Locationinpatent:Page/Pagecolumn298

[16]Patent:WO2005/9940,2005,A1.Locationinpatent:Page175

[17]Patent:US2010/81643,2010,A1.Locationinpatent:Page/Pagecolumn37

[18]Patent:WO2010/47982,2010,A1.Locationinpatent:Page/Pagecolumn78

[19]Patent:WO2012/114268,2012,A1.Locationinpatent:Page/Pagecolumn134

[20]Patent:US2014/73651,2014,A1.Locationinpatent:Paragraph0984;0985

67-56-1

1975-52-6

77324-87-9

[1]JournalofMedicinalChemistry,2009,vol.52,p.5228-5240

[2]Patent:US2011/269834,2011,A1.Locationinpatent:Page/Pagecolumn28-29

[3]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.2823-2827

[4]Patent:WO2004/18414,2004,A2.Locationinpatent:Page109-110

[5]JournalofMedicinalChemistry,2013,vol.56,p.8561-8578

[6]EuropeanJournalofMedicinalChemistry,1991,vol.26,p.699-707

[7]Patent:WO2005/80388,2005,A1.Locationinpatent:Page/Pagecolumn55

[8]Patent:WO2006/63805,2006,A1.Locationinpatent:Page/Pagecolumn75

[9]Patent:WO2007/71955,2007,A1.Locationinpatent:Page/Pagecolumn52

[10]Patent:US2009/239859,2009,A1.Locationinpatent:Page/Pagecolumn298

[11]Patent:WO2005/9940,2005,A1.Locationinpatent:Page174

[12]Patent:US2010/81643,2010,A1.Locationinpatent:Page/Pagecolumn37

[13]Patent:WO2010/47982,2010,A1.Locationinpatent:Page/Pagecolumn77-78

[14]JournalofMedicinalChemistry,2011,vol.54,p.635-654

[15]Patent:WO2014/167444,2014,A1.Locationinpatent:Page/Pagecolumn46;47

[16]Patent:WO2016/90079,2016,A1.Locationinpatent:Paragraph00883-00884

77324-87-9

90725-68-1

[1]OrganicandBiomolecularChemistry,2017,vol.15,p.10172-10183

[2]Patent:WO2016/127213,2016,A1.Locationinpatent:Page/Pagecolumn106

[3]JournalofMedicinalChemistry,2009,vol.52,p.5228-5240

[4]Patent:US2011/269834,2011,A1.Locationinpatent:Page/Pagecolumn29

[5]Patent:WO2004/18414,2004,A2.Locationinpatent:Page110

[6]Patent:WO2020/14489,2020,A2.Locationinpatent:Page/Pagecolumn138-139

[7]Patent:WO2009/39135,2009,A1.Locationinpatent:Page/Pagecolumn133

[8]Patent:WO2019/84030,2019,A1.Locationinpatent:Paragraph0610

[9]Patent:WO2019/84026,2019,A1.Locationinpatent:Paragraph0669

[10]ChemMedChem,2020,vol.15,p.17-25

[11]Patent:WO2020/55976,2020,A1.Locationinpatent:Paragraph0337

[12]EuropeanJournalofMedicinalChemistry,1991,vol.26,p.699-707

[13]BioorganicandMedicinalChemistryLetters,1999,vol.9,p.1625-1630

[14]Patent:US5665723,1997,A

[15]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.814-819

[16]JournalofMedicinalChemistry,2013,vol.56,p.8561-8578

[17]InorganicChemistry,2014,vol.53,p.2932-2942

[18]Patent:WO2016/90079,2016,A1.Locationinpatent:Paragraph00886-00887

[19]OrganicandBiomolecularChemistry,2019,vol.17,p.8014-8018

77324-87-9

1975-52-6

[1]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.6273-6278

[2]Patent:WO2006/117669,2006,A1.Locationinpatent:Page/Pagecolumn41;114

[3]Organicletters,2000,vol.2,p.2931-2934

77324-87-9 | Methyl 2-methyl-5-nitrobenzoate