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81536-18-7,MFCD00051622
Catalog No.:AA003F21

81536-18-7 | 2-(tert-Butylsulfonyl)acetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>95%
1 week  
$299.00   $209.00
- +
5mg
>95%
1 week  
$319.00   $223.00
- +
10mg
>95%
1 week  
$358.00   $250.00
- +
500mg
>95%
1 week  
$951.00   $666.00
- +
1g
>95%
1 week  
$1,688.00   $1,182.00
- +
5g
>95%
1 week  
$6,107.00   $4,275.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003F21
Chemical Name:
2-(tert-Butylsulfonyl)acetonitrile
CAS Number:
81536-18-7
Molecular Formula:
C6H11NO2S
Molecular Weight:
161.2220
MDL Number:
MFCD00051622
SMILES:
N#CCS(=O)(=O)C(C)(C)C
Properties
Properties
 
Form:
Solid  
MP:
141℃  

Computed Properties
 
Complexity:
244  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
0.4  

Downstream Synthesis Route

[1]Gonzalez,PedroB.;Lopez,Rosa;Palomo,Claudio[JournalofOrganicChemistry,2010,vol.75,#11,p.3920-3922]

[1]Locationinpatent:experimentalpartBachovchin,DanielA.;Zuhl,AndreaM.;Speers,AnnaE.;Wolfe,MoniqueR.;Weerapana,Eranthie;Brown,StevenJ.;Rosen,Hugh;Cravatt,BenjaminF.[JournalofMedicinalChemistry,2011,vol.54,#14,p.5229-5236]

[1]Bachovchin,DanielA.;Zuhl,AndreaM.;Speers,AnnaE.;Wolfe,MoniqueR.;Weerapana,Eranthie;Brown,StevenJ.;Rosen,Hugh;Cravatt,BenjaminF.[JournalofMedicinalChemistry,2011,vol.54,#14,p.5229-5236]

benzhydryl2-(acetoxymethyl)buta-2,3-dienoate 
  81536-18-7   
(R)-benzhydryl4-(tert-butylsulfonyl)-4-cyanocyclopent-1-enecarboxylate 

[1]Ziegler,DanielT.;Riesgo,Lorena;Ikeda,Takuya;Fujiwara,Yuji;Fu,GregoryC.[AngewandteChemie-InternationalEdition,2014,vol.53,#48,p.13183-13187][Angew.Chem.,2014,vol.126,#48,p.13399-13403,5]

1257228-77-5    81536-18-7   
(4S,5S)-benzyl4-(tert-butylsulfonyl)-4-cyano-5-ethylcyclopent-1-enecarboxylate 
 
(4R,5R)-benzyl4-(tert-butylsulfonyl)-4-cyano-5-ethylcyclopent-1-enecarboxylate 
 
benzyl4-(tert-butylsulfonyl)-4-cyano-5-ethylcyclopent-1-enecarboxylate 

[1]Ziegler,DanielT.;Riesgo,Lorena;Ikeda,Takuya;Fujiwara,Yuji;Fu,GregoryC.[AngewandteChemie-InternationalEdition,2014,vol.53,#48,p.13183-13187][Angew.Chem.,2014,vol.126,#48,p.13399-13403,5]

Literature
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