Home Nitro Compounds 1016-58-6
1016-58-6,MFCD00014701
Catalog No.:AA0004VC

1016-58-6 | 4,5-Dimethoxy-2-nitrobenzyl alcohol

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1g
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5g
98%
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$28.00   $20.00
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10g
98%
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$34.00   $24.00
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25g
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100g
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500g
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  • 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:
AA0004VC
Chemical Name:
4,5-Dimethoxy-2-nitrobenzyl alcohol
CAS Number:
1016-58-6
Molecular Formula:
C9H11NO5
Molecular Weight:
213.1873
MDL Number:
MFCD00014701
SMILES:
COc1cc([N+](=O)[O-])c(cc1OC)CO
Properties
Properties
 
BP:
383.9±37.0°C at 760 mmHg  
Form:
Solid  
MP:
145-148 °C(lit.)  
Stability:
Light Sensitive  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
0.8  

Upstream Synthesis Route

[1]OrganicandBiomolecularChemistry,2015,vol.13,#9,p.2588-2599

[1]Patent:CN106632271,2017,A,

[1]Patent:CN106632271,2017,A,

[1]EuropeanJournalofMedicinalChemistry,2016,vol.115,p.453-462

[2]JournalofOrganicChemistry,1998,vol.63,#8,p.2434-2441

[3]Tetrahedron,1997,vol.53,#39,p.13449-13472

[4]JournalofOrganicChemistry,2002,vol.67,#16,p.5567-5577

[5]ChemicalCommunications,2017,vol.53,#68,p.9470-9473

[6]AngewandteChemie-InternationalEdition,2017,vol.56,#15,p.4356-4360

[7]Angew.Chem.,2017,vol.129,#15,p.4421-4425,5

[8]ChemistryLetters,2015,vol.44,#9,p.1194-1196

[9]JournalofOrganicChemistry,1990,vol.55,#5,p.1585-1589

[10]Patent:US4477556,1984,A,

[11]JournaloftheChemicalSociety,1965,p.1080-1087

[12]PhotochemicalandPhotobiologicalSciences,2012,vol.11,#3,p.548-555

[13]EuropeanJournalofMedicinalChemistry,2012,vol.55,p.125-136

[14]BioorganicandMedicinalChemistryLetters,2012,vol.22,#18,p.5971-5975

[1]Patent:CN106632271,2017,A,.Locationinpatent:Paragraph0029;0030;0031

Downstream Synthesis Route

[1]ChemicalCommunications,2017,vol.53,p.9470-9473

[2]Patent:WO2017/95704,2017,A1.Locationinpatent:Page/Pagecolumn58

[3]Patent:TW2019/36562,2019,A.Locationinpatent:Paragraph0100

[4]JournalofOrganicChemistry,2019,vol.84,p.11441-11449

[5]JournalofOrganicChemistry,1990,vol.55,p.1585-1589

[6]PhotochemicalandPhotobiologicalSciences,2012,vol.11,p.548-555

[7]EuropeanJournalofMedicinalChemistry,2012,vol.55,p.125-136

[8]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.5971-5975

[9]OrganicandBiomolecularChemistry,2015,vol.13,p.2588-2599

[1]DaCosta,Laurène;Roche,Manon;Scheers,Els;Coluccia,Antonio;Neyts,Johan;Terme,Thierry;Leyssen,Pieter;Silvestri,Romano;Vanelle,Patrice[EuropeanJournalofMedicinalChemistry,2016,vol.115,p.453-462]

[2]Jeschik,Nils;Meier,Chris;Schneider,Tobias[EuropeanJournalofOrganicChemistry,2020,vol.2020,#43,p.6776-6789]

[3]Reinhard,Robert;Schmidt,BrigitteF.[JournalofOrganicChemistry,1998,vol.63,#8,p.2434-2441]

[4]Bailey,HelenV.;Day,JoannaM.;Mahon,MaryF.;Potter,BarryV.L.;Purohit,Atul;Smith,Andrew;Tutill,HelenaJ.;Vicker,Nigel[Molecules,2021,vol.26,#23]

[5]Alajarin,Mateo;Molina,Pedro;Vidal,Angel;Tovar,Fulgencio[Tetrahedron,1997,vol.53,#39,p.13449-13472]

[6]Blanc,Aurelien;Bochet,ChristianG.[JournalofOrganicChemistry,2002,vol.67,#16,p.5567-5577]

[7]Behara,KrishnaKalyani;Rajesh;Venkatesh,Yarra;Pinninti,BhaskarRao;Mandal,Mahitosh;Singh,N.D.Pradeep[ChemicalCommunications,2017,vol.53,#68,p.9470-9473]

[8]Möller,Nadja;Rühling,Andreas;Lamping,Sebastian;Hellwig,Tim;Fallnich,Carsten;Ravoo,BartJan;Glorius,Frank[AngewandteChemie-InternationalEdition,2017,vol.56,#15,p.4356-4360][Angew.Chem.,2017,vol.129,#15,p.4421-4425,5]

[9]Arimitsu,Koji;Maruyama,Yuya;Furutani,Masahiro[ChemistryLetters,2015,vol.44,#9,p.1194-1196]

[10]Matinkhoo,Kaveh;Pryyma,Alla;Wong,AntonioA.W.L.;Perrin,DavidM.[ChemicalCommunications,2021,vol.57,#75,p.9558-9561]

[11]Wilcox,Mary;Viola,RandallW.;Johnson,KatherineW.;Billington,AndrewP.;Carpenter,BarryK.;etal.[JournalofOrganicChemistry,1990,vol.55,#5,p.1585-1589]

[12]CurrentPatentAssignee:DUPONTDENEMOURSINC-US4477556,1984,A

[13]Bowman,R.E.etal.[JournaloftheChemicalSociety,1965,p.1080-1087]

[14]Locationinpatent:experimentalpartSolomek,Tomas;Mercier,Sebastien;Bally,Thomas;Bochet,ChristianG.[PhotochemicalandPhotobiologicalSciences,2012,vol.11,#3,p.548-555]

[15]Feng,Lianshun;Lv,Kai;Liu,Mingliang;Wang,Shuo;Zhao,Jing;You,Xuefu;Li,Sujie;Cao,Jue;Guo,Huiyuan[EuropeanJournalofMedicinalChemistry,2012,vol.55,p.125-136]

[16]Tynebor,RobertM.;Chen,Meng-Hsin;Natarajan,SwaminathanR.;O'Neill,EdwardA.;Thompson,JamesE.;Fitzgerald,CatherineE.;O'Keefe,StephenJ.;Doherty,JamesB.[BioorganicandMedicinalChemistryLetters,2012,vol.22,#18,p.5971-5975]

[17]Li,Yang;Li,Yu-Nong;Zheng,Jian-wei;Dong,Xiao-yun;Guo,Rong-xiu;Wang,Yi-ming;Hu,Ze-nan;Ai,Yongjian;Liang,Qionglin;Sun,Hong-bin[Chemistry-AEuropeanJournal,2021,vol.27,#3,p.1080-1087]

[1]EuropeanJournalofMedicinalChemistry,2016,vol.115,p.453-462

[2]ChemicalCommunications,2019,vol.55,p.5607-5610

[3]MolecularPharmacology,1996,vol.50,p.1401-1412

[4]Patent:US4477556,1984,A

[5]Tetrahedron,2005,vol.61,p.5849-5854

[6]JournaloftheChemicalSociety,1965,p.1080-1087

[7]Tetrahedron,1979,vol.35,p.1415-1418

[1]Dinkel,Carlo;Wichmann,Oliver;Schultz,Carsten[TetrahedronLetters,2003,vol.44,#6,p.1153-1155]

[1]Robles,JaimeLage;Bochet,ChristianG.[OrganicLetters,2005,vol.7,#16,p.3545-3547]

Literature

Title: Effects of 4,5-dimethoxy groups on the time-resolved photoconversion of 2-nitrobenzyl alcohols and 2-nitrobenzaldehyde into nitroso derivatives.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20051001

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Tags:1016-58-6 Molecular Formula|1016-58-6 MDL|1016-58-6 SMILES|1016-58-6 4,5-Dimethoxy-2-nitrobenzyl alcohol