Home Carboxes 89900-93-6
89900-93-6,MFCD01846431
Catalog No.:AA00GTCW

89900-93-6 | Methyl 4-(3-nitrophenyl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$211.00   $148.00
- +
5g
95%
in stock  
$544.00   $381.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00GTCW
Chemical Name:
Methyl 4-(3-nitrophenyl)benzoate
CAS Number:
89900-93-6
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
MDL Number:
MFCD01846431
SMILES:
COC(=O)c1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
331  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
3.7  

Downstream Synthesis Route

[1]Kenneretal.[Tetrahedron,1957,vol.1,p.259,267]

[1]Kenneretal.[Tetrahedron,1957,vol.1,p.259,267]

[2]Ananthakrishnanadar,Ponnambalanad.;Kannan,Nagarathnam[JournaloftheChemicalSociety.PerkintransactionsII,1984,#1,p.35-38]

[1]Ananthakrishnanadar,Ponnambalanad.;Kannan,Nagarathnam[JournaloftheChemicalSociety.PerkintransactionsII,1984,#1,p.35-38]

[1]Uehling,DavidE.;Shearer,BarryG.;Donaldson,KellyH.;Chao,EstherY.;Deaton,DavidN.;Adkison,KimK.;Brown,KathleenK.;Cariello,NealF.;Faison,WalterL.;Lancaster,MaryE.;Lin,Jasmine;Hart,Robert;Milliken,TulaO.;Paulik,MarkA.;Sherman,BryanW.;Sugg,ElizabethE.;Cowan,Conrad[JournalofMedicinalChemistry,2006,vol.49,#9,p.2758-2771]

[2]Dear,AnthonyE.;Liu,Hongbin;Mountford,Simon;Robinson,Andrea;Sama,GopalR.;Thompson,Phillip[BioorganicandMedicinalChemistryLetters,2020,vol.30,#16]

[3]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2004/101533,2004,A1Locationinpatent:Page102-103

[4]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-US5599813,1997,A

[5]CurrentPatentAssignee:ASSEMBLYBIOSCIENCES,INC.;INDIANAUNIVERSITY-WO2015/138895,2015,A1Locationinpatent:Paragraph000405

Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:89900-93-6 Molecular Formula|89900-93-6 MDL|89900-93-6 SMILES|89900-93-6 Methyl 4-(3-nitrophenyl)benzoate