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439118-51-1,MFCD09701214
Catalog No.:AA00DKGY

439118-51-1 | tert-Butyl N-[(2-cyanophenyl)methyl]carbamate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$178.00   $125.00
- +
1g
95%
in stock  
$427.00   $299.00
- +
5g
95%
in stock  
$1,640.00   $1,148.00
- +
10g
95%
in stock  
$3,153.00   $2,207.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DKGY
Chemical Name:
tert-Butyl N-[(2-cyanophenyl)methyl]carbamate
CAS Number:
439118-51-1
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD09701214
SMILES:
N#Cc1ccccc1CNC(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
311  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Rittle,KennethE.;Barrow,JamesC.;Cutrona,KellieJ.;Glass,KristenL.;Krueger,JulieA.;Kuo,LawrenceC.;Lewis,S.Dale;Lucas,BobbyJ.;McMasters,DanielR.;Morrissette,MatthewM.;Nantermet,PhilippeG.;Newton,ChristinaL.;Sanders,WilliamM.;Yan,Youwei;Vacca,JosephP.;Selnick,HaroldG.[BioorganicandMedicinalChemistryLetters,2003,vol.13,#20,p.3477-3482]

[2]CurrentPatentAssignee:BTELMACHJOHNE;MERCK&COINC;MULHEAMLAMES-WO2018/93694,2018,A1Locationinpatent:Page/Pagecolumn0122

Literature
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SDS
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Tags:439118-51-1 Molecular Formula|439118-51-1 MDL|439118-51-1 SMILES|439118-51-1 tert-Butyl N-[(2-cyanophenyl)methyl]carbamate