Ethyl 1H-benzo[d][1,2,3]triazole-5-carboxylate

Name: Ethyl 1H-benzo[d][1,2,3]triazole-5-carboxylate
Brand: ChemScene
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CAS No. 73605-91-1
Cat. No. CS-0150008
Purity≥97%
MDL No.MFCD00963122

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Ethyl 1H-benzo[d][1,2,3]triazole-5-carboxylate|CS-0150008

Structure of 73605-91-1

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General Information

CAS No. 73605-91-1
Cat. No. CS-0150008
Purity ≥97%
MDL No. MFCD00963122
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉N₃O₂
Molecular Weight 191.19
Synonym(s) 1H-Benzotriazole-5-carboxylic acid ethyl ester
SMILES N1=NNC2=C1C=C(C=C2)C(=O)OCC

Description

Ethyl 1H-benzo[d][1,2,3]triazole-5-carboxylate is a bench-stable, moisture-tolerant heterocyclic ester featuring a fused triazole core. This compound integrates readily into synthetic sequences requiring electron-deficient aryl building blocks. The para-positioned ester group enables direct functionalization or coupling reactions under mild conditions, facilitating access to complex triazolyl architectures in medicinal chemistry and materials science.

Application

Ethyl 1H-benzo[d][1,2,3]triazole-5-carboxylate serves as a versatile building block in medicinal and synthetic chemistry, enabling efficient access to triazolyl-containing scaffolds. Its ester functionality facilitates nucleophilic acyl substitution and subsequent derivatization, while the electron-deficient triazole ring exhibits favorable stability and orthogonal reactivity. This compound functions effectively in cross-coupling reactions and heterocycle elaboration, offering reliable performance in multi-step syntheses.

Synthesis

Route1
- In-stock
  
  23814-12-2
- ~%
- In-stock
  
  73605-91-1
References
- EP1272827 B1, ;
Route2
- In-stock
  
  23814-12-2
- 64-17-5
- ~89%
- In-stock
  
  73605-91-1
References
- Synthetic Communications, , vol. 23, # 14 p. 2019 - 2025

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

TPSA 67.87
LogP 1.1346
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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Ethyl 1H-benzo[d][1,2,3]triazole-5-carboxylate

CAS No. 73605-91-1

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