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54698-60-1,MFCD06411557
Catalog No.:AA00D83V

54698-60-1 | 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$87.00   $61.00
- +
5g
98%
in stock  
$336.00   $235.00
- +
10g
98%
in stock  
$610.00   $427.00
- +
25g
98%
in stock  
$1,208.00   $846.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00D83V
Chemical Name:
1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
54698-60-1
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD06411557
SMILES:
OC(=O)c1nnn(c1C)Cc1ccccc1
Properties
Properties
 
Form:
Solid  
MP:
170 °C  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
254  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.5  

Downstream Synthesis Route

[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]

1-benzyl-5-methyl-N-(naphthalen-1-yl)-1H-1,2,3-triazole-4-carboxamide 
  54698-60-1    130523-30-7 

[1]OrganicLetters,2017,vol.19,p.3795-3798

1-benzyl-5-methyl-N-(8-methylnaphthalen-1-yl)-1H-1,2,3-triazole-4-carboxamide 
  54698-60-1    130523-30-7 

[1]OrganicLetters,2017,vol.19,p.3795-3798

Literature

Title: 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20090601

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Tags:54698-60-1 Molecular Formula|54698-60-1 MDL|54698-60-1 SMILES|54698-60-1 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid