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23159-61-7,MFCD03768206
Catalog No.:AA002MBO

23159-61-7 | Ethyl 1h-1,2,4-triazol-5-ylacetate

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1g
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$524.00   $367.00
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002MBO
Chemical Name:
Ethyl 1h-1,2,4-triazol-5-ylacetate
CAS Number:
23159-61-7
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD03768206
SMILES:
CCOC(=O)Cc1ncn[nH]1
Properties
Properties
 
BP:
315.4°C at 760 mmHg  
Form:
Solid  
MP:
82-83℃(Solv: ethanol (64-17-5))  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
140  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
0.2  

Downstream Synthesis Route
23159-61-7   
(1<i>H</i>-1,2,4triazol-3-yl)-aceticacidamide 

[1]Kiselyov,AlexanderS.;PiatnitskiChekler,EugeneL.;Chernisheva,NataliaB.;Salamandra,LevK.;Semenov,VictorV.[TetrahedronLetters,2009,vol.50,#27,p.3809-3812]

[2]Ainsworth;Jones[JournaloftheAmericanChemicalSociety,1954,vol.76,p.5651,5653]

[1]Ainsworth;Jones[JournaloftheAmericanChemicalSociety,1954,vol.76,p.5651,5653]

[1]Ainsworth;Jones[JournaloftheAmericanChemicalSociety,1954,vol.76,p.5651,5653]

[2]Nara,Hiroshi;Kaieda,Akira;Sato,Kenjiro;Naito,Takako;Mototani,Hideyuki;Oki,Hideyuki;Yamamoto,Yoshio;Kuno,Haruhiko;Santou,Takashi;Kanzaki,Naoyuki;Terauchi,Jun;Uchikawa,Osamu;Kori,Masakuni[JournalofMedicinalChemistry,2017,vol.60,#2,p.608-626]

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2004/6095,2004,A1Locationinpatent:Page25

23159-61-7    76-83-5   
ethyl(1-triphenylmethyl-1H-1,2,4-triazol-3-yl)acetate 

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US6174877,2001,B1

Literature
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Tags:23159-61-7 Molecular Formula|23159-61-7 MDL|23159-61-7 SMILES|23159-61-7 Ethyl 1h-1,2,4-triazol-5-ylacetate