ethyl 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylate

Base Information

• Chemical Name: ethyl 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylate
• CAS No.: 20271-33-4
• Molecular Formula: C12H14 N4 O2
• Molecular Weight: 246.27
• Hs Code.: 2933990090
• European Community (EC) Number: 836-131-2
• NSC Number: 111590
• DSSTox Substance ID: DTXSID50296799
• Nikkaji Number: J394.434D
• Wikidata: Q82037576
• Mol file: 20271-33-4.mol

Synonyms:ethyl 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylate;20271-33-4;1h-1,2,3-triazole-4-carboxylic acid, 5-amino-1-(phenylmethyl)-, ethyl ester;ethyl 5-amino-1-benzyltriazole-4-carboxylate;Ethyl (1-benzo-5-amino-1,2,3-triazole)-4-carboxylate;NSC111590;Oprea1_714583;ethyl 5-amino-1-benzyl-1,2,3-triazole-4-carboxylate;SCHEMBL9296107;DTXSID50296799;CCG-42877;MFCD02068900;STK764452;AKOS001740837;DS-9518;NSC-111590;EN300-249574;ethyl 5-amino-1-benzyl-triazole-4-carboxylate;SR-01000532384;SR-01000532384-1;SR-01000532384-2;Z57106679;ETHYL5-AMINO-1-BENZYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE

Chemical Property of ethyl 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 4.27E-08mmHg at 25°C
• Boiling Point: 444.5°C at 760 mmHg
• PKA: -0.26±0.17(Predicted)
• Flash Point: 222.6°C
• PSA: 83.03000
• Density: 1.3g/cm³
• LogP: 1.66650
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 246.11167570
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of ethyl 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylate

There total 4 articles about ethyl 5-amino-1-benzyl-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: 53.0%

ethyl 2-cyanoacetate (105-56-6) + benzyl azide (622-79-7) → 1-benzyl-5-amino-1,2,3-triazole-4-carboxylic acid ethyl ester (20271-33-4)

Guidance literature:

With sodium; In ethanol; at 20 ℃; for 48h; under 3750300 Torr;

DOI:10.1007/BF00956825

Reference yield:

benzyl bromide (100-39-0) → 1-benzyl-5-amino-1,2,3-triazole-4-carboxylic acid ethyl ester (20271-33-4) + benzyl azide (622-79-7)

Guidance literature:

In ethanol;

Reference yield:

ethyl 2-cyanoacetate (105-56-6) + benzyl azide (622-79-7) → 1-benzyl-5-amino-1,2,3-triazole-4-carboxylic acid ethyl ester (20271-33-4) + C12H14N4O2

Guidance literature:

With sodium ethanolate;

DOI:10.1021/jo502577e

upstream raw materials:

ethanol

sodium ethanolate

ethyl 2-cyanoacetate

benzyl azide

Downstream raw materials:

4-amino-3-benzyl-1,2,3-triazole-5-carboxamide

5-Amino-1-benzyl-1,2,3-triazole-4-carboxylic Acid Hydrazide

5-Amino-1-benzyl-1H-[1,2,3]triazole-4-carboxylic acid [2-(3,4-dimethoxy-phenyl)-ethyl]-amide

ethyl 5-acetylamino-1-phenylmethyl-1H-1,2,3-triazole-4-carboxylate