130013-83-1,MFCD03094747
Catalog No.:AA01A6NK

130013-83-1 | (S)-tert-Butyl (1-cyanoethyl)carbamate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
1 week  
$67.00   $47.00
- +
1g
95%
1 week  
$179.00   $126.00
- +
5g
95%
1 week  
$620.00   $434.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01A6NK
Chemical Name:
(S)-tert-Butyl (1-cyanoethyl)carbamate
CAS Number:
130013-83-1
Molecular Formula:
C8H14N2O2
Molecular Weight:
170.2090
MDL Number:
MFCD03094747
SMILES:
C[C@H](NC(=O)OC(C)(C)C)C#N
Properties
Computed Properties
 
Complexity:
209  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Kohrt,Arne;Hartke,Klaus[LiebigsAnnalenderChemie,1992,#6,p.595-606]

[1]SyntheticCommunications,2009,vol.39,p.395-406

[2]TetrahedronAsymmetry,2013,vol.24,p.1572-1575

[3]TetrahedronLetters,2002,vol.43,p.5707-5710

[4]JournalofMedicinalChemistry,1991,vol.34,p.181-189

[5]Patent:US2011/212967,2011,A1.Locationinpatent:Page/Pagecolumn11

[6]TetrahedronLetters,2007,vol.48,p.1465-1468

[7]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.4328-4332

[8]JournalofMedicinalChemistry,2010,vol.53,p.2766-2778

[9]TetrahedronLetters,2014,vol.55,p.6831-6835

[10]Patent:WO2016/142833,2016,A1.Locationinpatent:Page/Pagecolumn69

[11]Patent:WO2009/146112,2009,A1.Locationinpatent:Page/Pagecolumn29;30;33

[1]Herrera,RaquelP.;Sgarzani,Valentina;Bernardi,Luca;Fini,Francesco;Pettersen,Daniel;Ricci,Alfredo[JournalofOrganicChemistry,2006,vol.71,#26,p.9869-9872]

Literature
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Additional Info:
SDS
Tags:130013-83-1 Molecular Formula|130013-83-1 MDL|130013-83-1 SMILES|130013-83-1 (S)-tert-Butyl (1-cyanoethyl)carbamate
Catalog No.: AA01A6NK
130013-83-1,MFCD03094747
130013-83-1 | (S)-tert-Butyl (1-cyanoethyl)carbamate
Pack Size: 250mg
Purity: 95%
1 week
$67.00 $47.00
Pack Size: 1g
Purity: 95%
1 week
$179.00 $126.00
Pack Size: 5g
Purity: 95%
1 week
$620.00 $434.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01A6NK
Chemical Name: (S)-tert-Butyl (1-cyanoethyl)carbamate
CAS Number: 130013-83-1
Molecular Formula: C8H14N2O2
Molecular Weight: 170.2090
MDL Number: MFCD03094747
SMILES: C[C@H](NC(=O)OC(C)(C)C)C#N
Properties
Complexity: 209  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.1  
Downstream Synthesis Route
130013-83-1    96929-01-0 

[1]Kohrt,Arne;Hartke,Klaus[LiebigsAnnalenderChemie,1992,#6,p.595-606]

78981-25-6    130013-83-1 

[1]SyntheticCommunications,2009,vol.39,p.395-406

[2]TetrahedronAsymmetry,2013,vol.24,p.1572-1575

[3]TetrahedronLetters,2002,vol.43,p.5707-5710

[4]JournalofMedicinalChemistry,1991,vol.34,p.181-189

[5]Patent:US2011/212967,2011,A1.Locationinpatent:Page/Pagecolumn11

[6]TetrahedronLetters,2007,vol.48,p.1465-1468

[7]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.4328-4332

[8]JournalofMedicinalChemistry,2010,vol.53,p.2766-2778

[9]TetrahedronLetters,2014,vol.55,p.6831-6835

[10]Patent:WO2016/142833,2016,A1.Locationinpatent:Page/Pagecolumn69

[11]Patent:WO2009/146112,2009,A1.Locationinpatent:Page/Pagecolumn29;30;33

75-86-5    365441-85-6    100927-09-1    130013-83-1 

[1]Herrera,RaquelP.;Sgarzani,Valentina;Bernardi,Luca;Fini,Francesco;Pettersen,Daniel;Ricci,Alfredo[JournalofOrganicChemistry,2006,vol.71,#26,p.9869-9872]

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