15029-36-4,MFCD00118415
Catalog No.:AA001MEO

15029-36-4 | 2-Cyano-n-ethylacetamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$35.00   $24.00
- +
5g
98%
in stock  
$39.00   $28.00
- +
25g
98%
in stock  
$125.00   $88.00
- +
100g
98%
in stock  
$409.00   $287.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001MEO
Chemical Name:
2-Cyano-n-ethylacetamide
CAS Number:
15029-36-4
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD00118415
SMILES:
CCNC(=O)CC#N
NSC Number:
112760
Properties
Computed Properties
 
Complexity:
122  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
-0.2  

Downstream Synthesis Route

[1]Borgelt,Lydia;Hwang,Jimin;Wu,Peng[ACSCombinatorialScience,2020,vol.22,#10,p.495-499]

[2]CurrentPatentAssignee:SHIONOGI&CO.,LTD.-EP1477186,2004,A1Locationinpatent:Page/Pagecolumn39;40

[3]CurrentPatentAssignee:SHIONOGI&CO.,LTD.-EP1357111,2003,A1Locationinpatent:Page/Pagecolumn58-59

[4]Kuhnert,Maren;Köster,Helene;Bartholomäus,Ruben;Park,AhYoung;Shahim,Amir;Heine,Andreas;Steuber,Holger;Klebe,Gerhard;Diederich,WibkeE.[AngewandteChemie-InternationalEdition,2015,vol.54,#9,p.2849-2853][Angew.Chem.,2015,vol.127,#9,p.2891-2896,6]

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

[6]Mijin,DušanŽ.;Milić,BranislavD.;Mišić-Vuković,MilicaM.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2006,vol.45,#4,p.993-1003]

[7]Zhang,Zhichao;Song,Ting;Li,Xiangqian;Wu,Zhiyong;Feng,Yingang;Xie,Feibo;Liu,Chengwu;Qin,Jianquan;Chen,Hongbo[EuropeanJournalofMedicinalChemistry,2013,vol.59,p.141-149]

[8]Naik;Bhat[QuarterlyJournaloftheIndianChemicalSociety,vol.4,p.551][ChemischesZentralblatt,1928,vol.99,#I,p.1759]

[9]Shukla;Bhatia[JournaloftheIndianChemicalSociety,1978,vol.55,#3,p.281-283]

[10]Osdene,T.S.etal.[JournalofMedicinalChemistry,1967,vol.10,p.165-171]

[11]Locationinpatent:experimentalpartAlhambra,Cristobal;Becker,Chris;Blake,Timothy;Chang,Amy;DamewoodJr.,JamesR.;Daniels,Thalia;Dembofsky,BruceT.;Gurley,DavidA.;Hall,JamesE.;Herzog,KeithJ.;Horchler,CareyL.;Ohnmacht,CyrusJ.;Schmiesing,RichardJon;Dudley,Adam;Ribadeneira,MariaD.;Knappenberger,KatherineS.;MacIag,Carla;Stein,MarkM.;Chopra,Maninder;Liu,XiaodongF.;Christian,EdwardP.;Arriza,JeffreyL.;Chapdelaine,MarcJ.[BioorganicandMedicinalChemistry,2011,vol.19,#9,p.2927-2938]

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

[13]Kumar,Sukeerthi;Thakur,RajniR.;Margal,SanjayR.;Thomas,Abraham[Tetrahedron,2013,vol.69,#25,p.5112-5118]

[14]Shaik,JeelanBasha;Palaka,BhagathKumar;Penumala,Mohan;Kotapati,KasiViswanath;Devineni,SubbaRao;Eadlapalli,Siddhartha;Darla,M.Manidhar;Ampasala,DinakaraRao;Vadde,Ramakrishna;Amooru,G.Damu[EuropeanJournalofMedicinalChemistry,2016,vol.107,p.219-232]

[15]Shaik,JeelanBasha;Palaka,BhagathKumar;Penumala,Mohan;Eadlapalli,Siddhartha;DarlaMark,Manidhar;Ampasala,DinakaraRao;Vadde,Ramakrishna;AmooruGangaiah,Damu[ChemicalBiologyandDrugDesign,2016,p.43-53]

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

[17]Karteek,S.Durga;Reddy,A.Gopi;Tej,M.Bhuvan;Rao,M.V.Basaveswara[RussianJournalofOrganicChemistry,2021,vol.57,#2,p.272-282][Zh.Org.Khim.]

[1]Devani;Shishoo;Pathak;Parikh;Radhakrishnan;Padhya[Arzneimittel-Forschung/DrugResearch,1977,vol.27,#9,p.1652-1655]

[1]Shukla;Bhatia[JournaloftheIndianChemicalSociety,1978,vol.55,#3,p.281-283]

[1]Sasse,K.[JustusLiebigsAnnalenderChemie,1976,p.768-780]

[1]Hata,T.[BulletinoftheChemicalSocietyofJapan,1964,vol.37,p.547-549]

Literature
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Additional Info:
SDS
Tags:15029-36-4 Molecular Formula|15029-36-4 MDL|15029-36-4 SMILES|15029-36-4 2-Cyano-n-ethylacetamide
Catalog No.: AA001MEO
15029-36-4,MFCD00118415
15029-36-4 | 2-Cyano-n-ethylacetamide
Pack Size: 1g
Purity: 96%
in stock
$35.00 $24.00
Pack Size: 5g
Purity: 98%
in stock
$39.00 $28.00
Pack Size: 25g
Purity: 98%
in stock
$125.00 $88.00
Pack Size: 100g
Purity: 98%
in stock
$409.00 $287.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001MEO
Chemical Name: 2-Cyano-n-ethylacetamide
CAS Number: 15029-36-4
Molecular Formula: C5H8N2O
Molecular Weight: 112.1298
MDL Number: MFCD00118415
SMILES: CCNC(=O)CC#N
NSC Number: 112760
Properties
Complexity: 122  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 8  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 2  
XLogP3: -0.2  
Downstream Synthesis Route
75-04-7    105-56-6    15029-36-4 

[1]Borgelt,Lydia;Hwang,Jimin;Wu,Peng[ACSCombinatorialScience,2020,vol.22,#10,p.495-499]

[2]CurrentPatentAssignee:SHIONOGI&CO.,LTD.-EP1477186,2004,A1Locationinpatent:Page/Pagecolumn39;40

[3]CurrentPatentAssignee:SHIONOGI&CO.,LTD.-EP1357111,2003,A1Locationinpatent:Page/Pagecolumn58-59

[4]Kuhnert,Maren;Köster,Helene;Bartholomäus,Ruben;Park,AhYoung;Shahim,Amir;Heine,Andreas;Steuber,Holger;Klebe,Gerhard;Diederich,WibkeE.[AngewandteChemie-InternationalEdition,2015,vol.54,#9,p.2849-2853][Angew.Chem.,2015,vol.127,#9,p.2891-2896,6]

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

[6]Mijin,DušanŽ.;Milić,BranislavD.;Mišić-Vuković,MilicaM.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2006,vol.45,#4,p.993-1003]

[7]Zhang,Zhichao;Song,Ting;Li,Xiangqian;Wu,Zhiyong;Feng,Yingang;Xie,Feibo;Liu,Chengwu;Qin,Jianquan;Chen,Hongbo[EuropeanJournalofMedicinalChemistry,2013,vol.59,p.141-149]

[8]Naik;Bhat[QuarterlyJournaloftheIndianChemicalSociety,vol.4,p.551][ChemischesZentralblatt,1928,vol.99,#I,p.1759]

[9]Shukla;Bhatia[JournaloftheIndianChemicalSociety,1978,vol.55,#3,p.281-283]

[10]Osdene,T.S.etal.[JournalofMedicinalChemistry,1967,vol.10,p.165-171]

[11]Locationinpatent:experimentalpartAlhambra,Cristobal;Becker,Chris;Blake,Timothy;Chang,Amy;DamewoodJr.,JamesR.;Daniels,Thalia;Dembofsky,BruceT.;Gurley,DavidA.;Hall,JamesE.;Herzog,KeithJ.;Horchler,CareyL.;Ohnmacht,CyrusJ.;Schmiesing,RichardJon;Dudley,Adam;Ribadeneira,MariaD.;Knappenberger,KatherineS.;MacIag,Carla;Stein,MarkM.;Chopra,Maninder;Liu,XiaodongF.;Christian,EdwardP.;Arriza,JeffreyL.;Chapdelaine,MarcJ.[BioorganicandMedicinalChemistry,2011,vol.19,#9,p.2927-2938]

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

[13]Kumar,Sukeerthi;Thakur,RajniR.;Margal,SanjayR.;Thomas,Abraham[Tetrahedron,2013,vol.69,#25,p.5112-5118]

[14]Shaik,JeelanBasha;Palaka,BhagathKumar;Penumala,Mohan;Kotapati,KasiViswanath;Devineni,SubbaRao;Eadlapalli,Siddhartha;Darla,M.Manidhar;Ampasala,DinakaraRao;Vadde,Ramakrishna;Amooru,G.Damu[EuropeanJournalofMedicinalChemistry,2016,vol.107,p.219-232]

[15]Shaik,JeelanBasha;Palaka,BhagathKumar;Penumala,Mohan;Eadlapalli,Siddhartha;DarlaMark,Manidhar;Ampasala,DinakaraRao;Vadde,Ramakrishna;AmooruGangaiah,Damu[ChemicalBiologyandDrugDesign,2016,p.43-53]

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

[17]Karteek,S.Durga;Reddy,A.Gopi;Tej,M.Bhuvan;Rao,M.V.Basaveswara[RussianJournalofOrganicChemistry,2021,vol.57,#2,p.272-282][Zh.Org.Khim.]

103-72-0    15029-36-4    64686-89-1 

[1]Devani;Shishoo;Pathak;Parikh;Radhakrishnan;Padhya[Arzneimittel-Forschung/DrugResearch,1977,vol.27,#9,p.1652-1655]

107-13-1    15029-36-4    59736-23-1 

[1]Shukla;Bhatia[JournaloftheIndianChemicalSociety,1978,vol.55,#3,p.281-283]

15029-36-4    59749-87-0 

[1]Sasse,K.[JustusLiebigsAnnalenderChemie,1976,p.768-780]

15029-36-4    89180-76-7 

[1]Hata,T.[BulletinoftheChemicalSocietyofJapan,1964,vol.37,p.547-549]

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