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133992-58-2,MFCD06797393
Catalog No.:AA007MJV

133992-58-2 | Ethyl 1-benzyl-5-methyl-1h-1,2,3-triazole-4-carboxylate

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1mg
>95%
1 week  
$299.00   $209.00
- +
5mg
>95%
1 week  
$319.00   $223.00
- +
10mg
>95%
1 week  
$358.00   $250.00
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500mg
>95%
1 week  
$453.00   $317.00
- +
1g
>95%
1 week  
$589.00   $412.00
- +
5g
>95%
1 week  
$1,337.00   $936.00
- +
10g
>95%
1 week  
$2,084.00   $1,459.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007MJV
Chemical Name:
Ethyl 1-benzyl-5-methyl-1h-1,2,3-triazole-4-carboxylate
CAS Number:
133992-58-2
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD06797393
SMILES:
CCOC(=O)c1nnn(c1C)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
279  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
5  
XLogP3:
2.2  

Downstream Synthesis Route

[1]Cottrell,IanF.;Hands,David;Houghton,PeterG.;Humphrey,GuyR.;Wright,StanleyH.B.[JournalofHeterocyclicChemistry,1991,vol.28,#2,p.301-304]

[2]Wang,Zhen-Jun;Gao,Yang;Hou,Yan-Ling;Zhang,Cheng;Yu,Shu-Jing;Bian,Qiang;Li,Zheng-Ming;Zhao,Wei-Guang[EuropeanJournalofMedicinalChemistry,2014,vol.86,p.87-94]

[3]Wang,Zhen-Jun;Yang,Hui-Hui;Tian,Lei;Zhao,Wei-Guang[MedicinalChemistry,2016,vol.12,#3,p.290-295]

[4]Pokhodylo;Savka;Obushak[RussianJournalofOrganicChemistry,2021,vol.57,#6,p.914-921][Zh.Org.Khim.,2021,vol.57,#6,p.832-841]

[1]Romeiro,GilbertoA.;Pereira,LeticiaO.R.;DeSouza,MariaCeciliaB.V.;Ferreira,VitorF.;Cunha,AnnaClaudia[TetrahedronLetters,1997,vol.38,#29,p.5103-5106]

[1]Wolff[JustusLiebigsAnnalenderChemie,1912,vol.394,p.85][JustusLiebigsAnnalenderChemie,1913,vol.399,p.288,291]

[1]CurrentPatentAssignee:APTINYXINC.-WO2014/120800,2014,A1Locationinpatent:Paragraph00127;page45

[2]CurrentPatentAssignee:APTINYXINC.-WO2014/120783,2014,A1Locationinpatent:Paragraph00142

[3]Afanas̈ev;Tsyplenkova;Seliverstov;Sosonyuk;Proskurnina;Zefirov[RussianChemicalBulletin,2015,vol.64,#6,p.1470-1472][Izv.Akad.Nauk,Ser.Khim.,2015,#6,p.1470-1472,3]

[4]Biagi,Giuliana;Giorgi,Irene;Livi,Oreste;Nardi,Antonio;Pacchini,Federica;Scartoni,Valerio;Lucacchini,Antonio[EuropeanJournalofMedicinalChemistry,2003,vol.38,#11-12,p.983-990]

[5]Wang,Zhen-Jun;Gao,Yang;Hou,Yan-Ling;Zhang,Cheng;Yu,Shu-Jing;Bian,Qiang;Li,Zheng-Ming;Zhao,Wei-Guang[EuropeanJournalofMedicinalChemistry,2014,vol.86,p.87-94]

[6]Wang,Zhen-Jun;Yang,Hui-Hui;Tian,Lei;Zhao,Wei-Guang[MedicinalChemistry,2016,vol.12,#3,p.290-295]

[7]Pokhodylo;Savka;Obushak[RussianJournalofOrganicChemistry,2021,vol.57,#6,p.914-921][Zh.Org.Khim.,2021,vol.57,#6,p.832-841]

Literature
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Tags:133992-58-2 Molecular Formula|133992-58-2 MDL|133992-58-2 SMILES|133992-58-2 Ethyl 1-benzyl-5-methyl-1h-1,2,3-triazole-4-carboxylate