16133-49-6,MFCD00179573
Catalog No.:AA001SAI

16133-49-6 | 5-Methoxy-2-nitroaniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$7.00   $5.00
- +
5g
97%
in stock  
$16.00   $12.00
- +
10g
97%
in stock  
$31.00   $22.00
- +
25g
97%
in stock  
$72.00   $50.00
- +
100g
95%
in stock  
$240.00   $168.00
- +
500g
95%
in stock  
$1,154.00 $808.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001SAI
Chemical Name:
5-Methoxy-2-nitroaniline
CAS Number:
16133-49-6
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD00179573
SMILES:
COc1ccc(c(c1)N)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
169  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Upstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#7,p.2620-2623

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#7,p.2620-2623

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#7,p.2620-2623

[1]JournalofHeterocyclicChemistry,1987,vol.24,#6,p.1771-1775

[2]SyntheticCommunications,2007,vol.37,#19,p.3455-3470

[3]JournalofHeterocyclicChemistry,2012,vol.49,#5,p.1196-1201

[4]Patent:JP2016/175996,2016,A,.Locationinpatent:Paragraph0147-0148

[5]Patent:CN106234372,2016,A,.Locationinpatent:Paragraph0027

[6]Patent:JP2016/172816,2016,A,.Locationinpatent:Paragraph0112-0113

[7]Patent:CN106220575,2016,A,.Locationinpatent:Paragraph0025;0026

[8]JournalofMedicinalChemistry,2017,vol.60,#14,p.6289-6304

[9]Patent:CN107778252,2018,A,.Locationinpatent:Paragraph0020-0022

[1]JournalofOrganicChemistry,2017,vol.82,#7,p.3491-3499

[2]OrganicandBiomolecularChemistry,2017,vol.15,#34,p.7157-7164

Downstream Synthesis Route

[1]CurrentPatentAssignee:ALEVIUMPHARMACEUTICALS-US2005/38076,2005,A1Locationinpatent:Page/Pagecolumn26

[2]Zhang;Zhang,Zhoupeng;Tillekeratne;Hudson;Hudson,RichardA.[Synthesis,1996,#3,p.377-382]

[3]Reverdin;Widmer[ChemischeBerichte,1913,vol.46,p.4074]

[4]Reverdin;Widmer[ChemischeBerichte,1913,vol.46,p.4074]

[5]Acheson,R.M.etal.[JournaloftheChemicalSociety.PerkintransactionsI,1978,p.1117-1125]

[1]JournaloftheChemicalSociety,1929,p.2778

[2]HeterocyclicCommunications,2019,vol.25,p.8-14

[1]CurrentPatentAssignee:AGENEBIO;HAGERBIOSCIENCES-WO2015/95783,2015,A1Locationinpatent:Paragraph0240

[2]Dyall,LeonardK.[AustralianJournalofChemistry,1986,vol.39,#1,p.89-101]

[3]CurrentPatentAssignee:AGENEBIO;HAGERBIOSCIENCES-WO2016/205739,2016,A1Locationinpatent:Paragraph0260

[4]CurrentPatentAssignee:AGENEBIO;HAGERBIOSCIENCES-US2018/170941,2018,A1Locationinpatent:Paragraph1146;1147

[5]Rayam,Parsharamulu;Polkam,Naveen;Kummari,Bhaskar;Banothu,Venkanna;Gandamalla,Durgaiah;Yellu,NarsimhaReddy;Anireddy,JayaShree[JournalofHeterocyclicChemistry,2019,vol.56,#1,p.296-305]

[6]CurrentPatentAssignee:AGENEBIO-WO2019/246300,2019,A1Locationinpatent:Paragraph0309

[1]Abasolo;Gaozza;Fernandez[JournalofHeterocyclicChemistry,1987,vol.24,#6,p.1771-1775]

[2]Saha,Biswajit;Sharma,Sunil;Kundu,Bijoy[SyntheticCommunications,2007,vol.37,#19,p.3455-3470]

[3]Jarag;Jagtap;Borse;Shukla;Shankarling[JournalofHeterocyclicChemistry,2012,vol.49,#5,p.1196-1201]

[4]CurrentPatentAssignee:NIPPONKAYAKUCOLTD-JP2016/175996,2016,ALocationinpatent:Paragraph0147-0148

[5]CurrentPatentAssignee:ZHEJIANGUNIVERSITYOFTECHNOLOGY-CN106234372,2016,ALocationinpatent:Paragraph0027

[6]CurrentPatentAssignee:NIPPONKAYAKUCOLTD-JP2016/172816,2016,ALocationinpatent:Paragraph0112-0113

[7]CurrentPatentAssignee:ZHEJIANGUNIVERSITYOFTECHNOLOGY-CN106220575,2016,ALocationinpatent:Paragraph0025;0026

[8]Mao,Ruifeng;Shao,Jingwei;Zhu,Kongkai;Zhang,Yuanyuan;Ding,Hong;Zhang,Chenhua;Shi,Zhe;Jiang,Hualiang;Sun,Dequn;Duan,Wenhu;Luo,Cheng[JournalofMedicinalChemistry,2017,vol.60,#14,p.6289-6304]

[9]CurrentPatentAssignee:HUNANHUATENGPHARMACEUTICALCOLTD-CN107778252,2018,ALocationinpatent:Paragraph0020-0022

[10]Gao,Wen-Cong;Li,Xun;Ma,Xin;Pang,Pan-Pan;Peng,Li-Chun;Yang,Liang;Zheng,Chang-Bo[BioorganicandMedicinalChemistryLetters,2021,vol.36]

[11]An,Jie;Lai,Zemin;Li,Hengzhao;Peng,Mengqi;Sun,Yanhao;Yan,Zihan;Yang,Ruoyan;Zhang,Yuntong[GreenChemistry,2022,vol.24,#2,p.748-753]

[1]JustusLiebigsAnnalenderChemie,1971,vol.744,p.129-141

Literature
Quotation Request
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Additional Info:
SDS
Historical Records
Tags:16133-49-6 Molecular Formula|16133-49-6 MDL|16133-49-6 SMILES|16133-49-6 5-Methoxy-2-nitroaniline
Catalog No.: AA001SAI
16133-49-6,MFCD00179573
16133-49-6 | 5-Methoxy-2-nitroaniline
Pack Size: 1g
Purity: 97%
in stock
$7.00 $5.00
Pack Size: 5g
Purity: 97%
in stock
$16.00 $12.00
Pack Size: 10g
Purity: 97%
in stock
$31.00 $22.00
Pack Size: 25g
Purity: 97%
in stock
$72.00 $50.00
Pack Size: 100g
Purity: 95%
in stock
$240.00 $168.00
Pack Size: 500g
Purity: 95%
in stock
$1,154.00 $808.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001SAI
Chemical Name: 5-Methoxy-2-nitroaniline
CAS Number: 16133-49-6
Molecular Formula: C7H8N2O3
Molecular Weight: 168.1500
MDL Number: MFCD00179573
SMILES: COc1ccc(c(c1)N)[N+](=O)[O-]
Properties
Complexity: 169  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Upstream Synthesis Route
16133-49-6    41292-65-3 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#7,p.2620-2623

16133-49-6    4887-80-3 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#7,p.2620-2623

16133-49-6    40608-76-2 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#7,p.2620-2623

16133-49-6    102-51-2 

[1]JournalofHeterocyclicChemistry,1987,vol.24,#6,p.1771-1775

[2]SyntheticCommunications,2007,vol.37,#19,p.3455-3470

[3]JournalofHeterocyclicChemistry,2012,vol.49,#5,p.1196-1201

[4]Patent:JP2016/175996,2016,A,.Locationinpatent:Paragraph0147-0148

[5]Patent:CN106234372,2016,A,.Locationinpatent:Paragraph0027

[6]Patent:JP2016/172816,2016,A,.Locationinpatent:Paragraph0112-0113

[7]Patent:CN106220575,2016,A,.Locationinpatent:Paragraph0025;0026

[8]JournalofMedicinalChemistry,2017,vol.60,#14,p.6289-6304

[9]Patent:CN107778252,2018,A,.Locationinpatent:Paragraph0020-0022

696-59-3    16133-49-6    59194-26-2 

[1]JournalofOrganicChemistry,2017,vol.82,#7,p.3491-3499

[2]OrganicandBiomolecularChemistry,2017,vol.15,#34,p.7157-7164

Downstream Synthesis Route
20628-18-6    16133-49-6 

[1]CurrentPatentAssignee:ALEVIUMPHARMACEUTICALS-US2005/38076,2005,A1Locationinpatent:Page/Pagecolumn26

[2]Zhang;Zhang,Zhoupeng;Tillekeratne;Hudson;Hudson,RichardA.[Synthesis,1996,#3,p.377-382]

[3]Reverdin;Widmer[ChemischeBerichte,1913,vol.46,p.4074]

[4]Reverdin;Widmer[ChemischeBerichte,1913,vol.46,p.4074]

[5]Acheson,R.M.etal.[JournaloftheChemicalSociety.PerkintransactionsI,1978,p.1117-1125]

28987-59-9    16133-49-6 

[1]JournaloftheChemicalSociety,1929,p.2778

[2]HeterocyclicCommunications,2019,vol.25,p.8-14

16133-49-6    104503-84-6 

[1]CurrentPatentAssignee:AGENEBIO;HAGERBIOSCIENCES-WO2015/95783,2015,A1Locationinpatent:Paragraph0240

[2]Dyall,LeonardK.[AustralianJournalofChemistry,1986,vol.39,#1,p.89-101]

[3]CurrentPatentAssignee:AGENEBIO;HAGERBIOSCIENCES-WO2016/205739,2016,A1Locationinpatent:Paragraph0260

[4]CurrentPatentAssignee:AGENEBIO;HAGERBIOSCIENCES-US2018/170941,2018,A1Locationinpatent:Paragraph1146;1147

[5]Rayam,Parsharamulu;Polkam,Naveen;Kummari,Bhaskar;Banothu,Venkanna;Gandamalla,Durgaiah;Yellu,NarsimhaReddy;Anireddy,JayaShree[JournalofHeterocyclicChemistry,2019,vol.56,#1,p.296-305]

[6]CurrentPatentAssignee:AGENEBIO-WO2019/246300,2019,A1Locationinpatent:Paragraph0309

16133-49-6    102-51-2 

[1]Abasolo;Gaozza;Fernandez[JournalofHeterocyclicChemistry,1987,vol.24,#6,p.1771-1775]

[2]Saha,Biswajit;Sharma,Sunil;Kundu,Bijoy[SyntheticCommunications,2007,vol.37,#19,p.3455-3470]

[3]Jarag;Jagtap;Borse;Shukla;Shankarling[JournalofHeterocyclicChemistry,2012,vol.49,#5,p.1196-1201]

[4]CurrentPatentAssignee:NIPPONKAYAKUCOLTD-JP2016/175996,2016,ALocationinpatent:Paragraph0147-0148

[5]CurrentPatentAssignee:ZHEJIANGUNIVERSITYOFTECHNOLOGY-CN106234372,2016,ALocationinpatent:Paragraph0027

[6]CurrentPatentAssignee:NIPPONKAYAKUCOLTD-JP2016/172816,2016,ALocationinpatent:Paragraph0112-0113

[7]CurrentPatentAssignee:ZHEJIANGUNIVERSITYOFTECHNOLOGY-CN106220575,2016,ALocationinpatent:Paragraph0025;0026

[8]Mao,Ruifeng;Shao,Jingwei;Zhu,Kongkai;Zhang,Yuanyuan;Ding,Hong;Zhang,Chenhua;Shi,Zhe;Jiang,Hualiang;Sun,Dequn;Duan,Wenhu;Luo,Cheng[JournalofMedicinalChemistry,2017,vol.60,#14,p.6289-6304]

[9]CurrentPatentAssignee:HUNANHUATENGPHARMACEUTICALCOLTD-CN107778252,2018,ALocationinpatent:Paragraph0020-0022

[10]Gao,Wen-Cong;Li,Xun;Ma,Xin;Pang,Pan-Pan;Peng,Li-Chun;Yang,Liang;Zheng,Chang-Bo[BioorganicandMedicinalChemistryLetters,2021,vol.36]

[11]An,Jie;Lai,Zemin;Li,Hengzhao;Peng,Mengqi;Sun,Yanhao;Yan,Zihan;Yang,Ruoyan;Zhang,Yuntong[GreenChemistry,2022,vol.24,#2,p.748-753]

16133-49-6    98447-30-4 

[1]JustusLiebigsAnnalenderChemie,1971,vol.744,p.129-141

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