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Home Carboxes 79035-13-5
79035-13-5,MFCD29043644
Catalog No.:AA005N7O

79035-13-5 | 4-(benzyloxy)-1-chloro-2-nitrobenzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$211.00   $148.00
- +
5g
98%
in stock  
$610.00   $427.00
- +
25g
98%
in stock  
$1,640.00   $1,148.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005N7O
Chemical Name:
4-(benzyloxy)-1-chloro-2-nitrobenzene
CAS Number:
79035-13-5
Molecular Formula:
C13H10ClNO3
Molecular Weight:
263.6764
MDL Number:
MFCD29043644
SMILES:
[O-][N+](=O)c1cc(OCc2ccccc2)ccc1Cl
Properties
Properties
 
Form:
Solid  
MP:
50-52℃(Solv: methanol (67-56-1))  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
276  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
3  
XLogP3:
3.7  

Downstream Synthesis Route
sodiumdiethylmalonate 
  79035-13-5    112089-51-7 

[1]Wierenga[JournaloftheAmericanChemicalSociety,1981,vol.103,#18,p.5621-5623]

[1]Tetrahedron,2008,vol.64,p.8488-8495

[2]JournalofMedicinalChemistry,1988,vol.31,p.590-603

[3]Patent:WO2009/102498,2009,A1.Locationinpatent:Page/Pagecolumn98

[4]Patent:US2003/216356,2003,A1

[5]Patent:US6221877,2001,B1

[6]Patent:WO2017/62581,2017,A1.Locationinpatent:Paragraph0237;0243

[7]JournaloftheAmericanChemicalSociety,1981,vol.103,p.5621-5623

[8]Heterocycles,1993,vol.36,p.1399-1410

[9]Patent:EP1939204,2008,A1.Locationinpatent:Page/Pagecolumn16

[10]Patent:WO2016/90382,2016,A1.Locationinpatent:Paragraph0036

[11]Patent:US2017/107211,2017,A1.Locationinpatent:Paragraph0507;0508

[12]Patent:JP2018/154620,2018,A.Locationinpatent:Paragraph0179;0180

[1]Yuste,Francisco;Saldana,Manuel;Walls,Fernando[TetrahedronLetters,1982,vol.23,#2,p.147-148]

[2]CurrentPatentAssignee:UNIVERSITYOFCALIFORNIA-US6221877,2001,B1

[3]CurrentPatentAssignee:KISSEIPHARMACEUTICALCOMPANYLIMITED-EP1939204,2008,A1Locationinpatent:Page/Pagecolumn16

[4]CurrentPatentAssignee:INTRA-CELLULARTHERAPIES,INC.-WO2016/90382,2016,A1Locationinpatent:Paragraph0036

[1]ChemicalandPharmaceuticalBulletin,1989,vol.37,p.962-966

[2]Patent:US4954518,1990,A

[1]Warpehoski;Gebhard;Kelly;Krueger;Li;McGovren;Prairie;Wicnienski;Wierenga[JournalofMedicinalChemistry,1988,vol.31,#3,p.590-603]

[2]Ortuzar,Natalia;Karu,Kersti;Presa,Daniela;Morais,GoretiR.;Sheldrake,HelenM.;Shnyder,SteveD.;Barnieh,FrancisM.;Loadman,PaulM.;Patterson,LaurenceH.;Pors,Klaus;Searcey,Mark[BioorganicandMedicinalChemistry,2021,vol.40]

[3]Wang,Yugiang;Lown,J.William[Heterocycles,1993,vol.36,#6,p.1399-1410]

Literature
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SDS
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