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15029-30-8,MFCD00006487
Catalog No.:AA001MER

15029-30-8 | 3-Oxo-3-piperidin-1-ylpropanenitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$13.00   $9.00
- +
5g
97%
in stock  
$43.00   $30.00
- +
10g
95%
in stock  
$54.00   $38.00
- +
25g
97%
in stock  
$108.00   $75.00
- +
100g
97%
in stock  
$286.00   $200.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001MER
Chemical Name:
3-Oxo-3-piperidin-1-ylpropanenitrile
CAS Number:
15029-30-8
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD00006487
SMILES:
N#CCC(=O)N1CCCCC1
NSC Number:
102772
Properties
Properties
 
BP:
325.9 °C at 760 mmHg  
Form:
Solid  
MP:
88-91 °C(lit.)  
Refractive Index:
1.4940 (estimate)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
186  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
0.5  

Downstream Synthesis Route

[1]Riddles,CourtneyN.;Whited,Mark;Lotlikar,ShalakaR.;Still,Korey;Patrauchan,Marianna;Silchenko,Svitlana;Gerasimchuk,Nikolay[InorganicaChimicaActa,2014,vol.412,p.94-103]

[2]Shaik,JeelanBasha;Yeggoni,DanielPushparaju;Kandrakonda,YelamandaRao;Penumala,Mohan;Zinka,RaveendraBabu;Kotapati,KasiViswanath;Darla,MarkManidhar;Ampasala,DinakaraRao;Subramanyam,Rajagopal;Amooru,DamuGangaiah[BioorganicChemistry,2019,vol.88]

[3]Locationinpatent:experimentalpartCheikh,Nawel;Bar,Nathalie;Choukchou-Braham,Nourredine;Mostefa-Kara,Bachir;Lohier,Jean-Franois;Sopkova,Jana;Villemin,Didier[Tetrahedron,2011,vol.67,#8,p.1540-1551]

[4]Guareschi[AttidellaAccademiadelleScienzediTorino,ClassediScienzeFisiche,MatematicheeNaturali,vol.27,p.225][ChemischeBerichte,25Ref.<1892>,326]

[5]Locationinpatent:schemeortableRatcliff,Jessica;Kuduk-Jaworska,Janina;Chojnacki,Henryk;Nemykin,Victor;Gerasimchuk,Nikolay[InorganicaChimicaActa,2012,vol.385,p.1-11]

[6]Locationinpatent:experimentalpartKhattab,SherineN.;Subirós-Funosas,Ramon;El-Faham,Ayman;Albericio,Fernando[Tetrahedron,2012,vol.68,#14,p.3056-3062]

[7]Manidhar;Rao,K.UmaMaheswara;Reddy,N.Bakthavatchala;Sundar,Ch.Syama;Reddy,C.Suresh[JournaloftheKoreanChemicalSociety,2012,vol.56,#4,p.459-463]

[8]Hayotsyan,SargisS.;Mkryan,GevorgG.;Aghekyan,AsyaA.;Melikyan,GagikS.[HeterocyclicCommunications,2012,vol.18,#4,p.189-192]

[9]Basha,ShaikJeelan;Mohan,Penumala;Yeggoni,DanielPushparaju;Babu,ZinkaRaveendra;Kumar,PalakaBhagath;Rao,AmpasalaDinakara;Subramanyam,Rajagopal;Damu,AmooruGangaiah[MolecularPharmaceutics,2018,vol.15,#6,p.2206-2223]

[1]Speziale;Hamm[JournaloftheAmericanChemicalSociety,1956,vol.78,p.5580,5582]

15029-30-8    598-50-5   
1-2-cyano-3-(<i>N</i>'-methyl-ureido)-acryloyl-piperidine 

[1]Whitehead;Traverso[JournaloftheAmericanChemicalSociety,1955,vol.77,p.5872,5875]

[1]Zradni,Fatima-Zohra;Hamelin,Jack;Derdour,Aicha[SyntheticCommunications,2002,vol.32,#22,p.3525-3531]

[2]Gazit,Aviv;Osherov,Nir;Posner,Israel;Yaish,Pnina;Poradosu,Enrique;etal.[JournalofMedicinalChemistry,1991,vol.34,#6,p.1896-1907]

2058-74-4    15029-30-8   
2-(1-methyl-2-oxoindolin-3-ylidene)-2-cyanoaceticacid 

[1]Ukhov,S.V.;Konshin,M.E.[ChemistryofHeterocyclicCompounds,1992,vol.28,#12,p.1379-1381][KhimiyaGeterotsiklicheskikhSoedinenii,1992,#12,p.1611-1613]

Literature

Title: 3-Oxo-3-(piperidin-1-yl)propane-nitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20120901

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