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21120-78-5,MFCD00429186
Catalog No.:AA00I3YM

21120-78-5 | Methyl 4-(4-nitrophenoxy)benzoate

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00I3YM
Chemical Name:
Methyl 4-(4-nitrophenoxy)benzoate
CAS Number:
21120-78-5
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
MDL Number:
MFCD00429186
SMILES:
COC(=O)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
338  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
4  
XLogP3:
3.5  

Downstream Synthesis Route

[1]Haeussermann;Bauer[ChemischeBerichte,1896,vol.29,p.2084][ChemischeBerichte,1897,vol.30,p.738Anm.2]

[1]Tomita;Ikawa[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1954,vol.74,p.1065,1067][Chem.Abstr.,1955,p.11592]

[2]Dinsmore,ChristopherJ.;Williams,TheresaM.;Hamilton,Kelly;O'Neill,TimothyJ.;Rands,Elaine;Koblan,KennethS.;Kohl,NancyE.;Gibbs,JacksonB.;Graham,SamuelL.;Hartman,GeorgeD.;Oliff,AllenI.[BioorganicandMedicinalChemistryLetters,1997,vol.7,#10,p.1345-1348]

[3]Locationinpatent:experimentalpartNishizawa,Rena;Nishiyama,Toshihiko;Hisaichi,Katsuya;Hirai,Keisuke;Habashita,Hiromu;Takaoka,Yoshikazu;Tada,Hideaki;Sagawa,Kenji;Shibayama,Shiro;Maeda,Kenji;Mitsuya,Hiroaki;Nakai,Hisao;Fukushima,Daikichi;Toda,Masaaki[BioorganicandMedicinalChemistry,2010,vol.18,#14,p.5208-5223]

[1]JournalofOrganicChemistry,2011,vol.76,p.3286-3295

Literature
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