Ethyl 1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylate
• CAS No.: 81581-05-7
• Molecular Formula: C13H15N3O3
• Molecular Weight: 261.28
• DSSTox Substance ID: DTXSID10513439
• Wikidata: Q82373263
• Mol file: 81581-05-7.mol

Synonyms:Ethyl 1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylate;81581-05-7;1-(4-Methoxy-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester;ethyl 1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;Ethyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate;SCHEMBL1257597;DTXSID10513439;HWLGXZVEAIOPJL-UHFFFAOYSA-N;MFCD17011815;AKOS015843492;DS-3188;CS-0151709;FT-0699428;D82878;A864531;F1907-2593;Ethyl1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylate

Chemical Property of Ethyl 1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylate

Chemical Property:

• PSA: 66.24000
• LogP: 1.51170
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 261.11134135
• Heavy Atom Count: 19
• Complexity: 293

Purity/Quality:

97% ^*data from raw suppliers

Ethyl1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN(N=N1)CC2=CC=C(C=C2)OC

Technology Process of Ethyl 1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylate

There total 2 articles about Ethyl 1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

1-(azidomethyl)-4-methoxybenzene (70978-37-9) + Ethyl propionate (105-37-3,20741-13-3) → ethyl 1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylate (81581-05-7)

Guidance literature:

In N,N-dimethyl-formamide; at 0 - 20 ℃;

Reference yield: 88.0%

1-(azidomethyl)-4-methoxybenzene (70978-37-9) + propynoic acid ethyl ester (623-47-2) → ethyl 1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylate (81581-05-7)

Guidance literature:

In ethanol; for 15h; Heating;

Reference yield: 94.0%

ethyl 1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylate (81581-05-7) → 1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylic acid (716361-79-4)

Guidance literature:

ethyl 1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylate; With methanol; lithium hydroxide; water; at 0 - 20 ℃;

With hydrogenchloride; water; pH=3 - 4;

upstream raw materials:

1-(azidomethyl)-4-methoxybenzene

propynoic acid ethyl ester

Ethyl propionate

Downstream raw materials:

1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylic acid

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