1-Methyl-1H-1,2,3-triazole-4-carboxylic acid

Base Information

• Chemical Name: 1-Methyl-1H-1,2,3-triazole-4-carboxylic acid
• CAS No.: 16681-71-3
• Molecular Formula: C4H5N3O2
• Molecular Weight: 127.103
• Hs Code.: 2933990090
• Mol file: 16681-71-3.mol

Synonyms:1H-1,2,3-Triazole-4-carboxylic acid, 1-methyl-;

Chemical Property of 1-Methyl-1H-1,2,3-triazole-4-carboxylic acid

Chemical Property:

• Melting Point: 224 °C (decomp)
• Boiling Point: 350.695 °C at 760 mmHg
• PKA: 3.36±0.50(Predicted)
• Flash Point: 165.894 °C
• PSA: 68.01000
• Density: 1.549 g/cm³
• LogP: -0.48670

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Methyl-1H-1,2,3-triazole-4-carboxylic acid AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-Methyl-1H-1,2,3-triazole-4-carboxylic acid is used as a reactant in the preparation of click chelators for platinum-based anticancer drugs.

Technology Process of 1-Methyl-1H-1,2,3-triazole-4-carboxylic acid

There total 6 articles about 1-Methyl-1H-1,2,3-triazole-4-carboxylic acid 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: 80.0%

1-Methyl-4-trinitromethyl-1,2,3-triazole (116057-94-4) → 1-methyl-1H-1,2,3-triazole-4-carboxylic acid (16681-71-3)

Guidance literature:

With hydrogenchloride; In water; Heating;

Reference yield: 50.0%

4-bromo-1-methyl-1H-1,2,3-triazole (13273-53-5) + methyl iodide (74-88-4) → 1-methyl-1H-1,2,3-triazole-4-carboxylic acid (16681-71-3)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 - 30 ℃; for 48h; Temperature; Reagent/catalyst;

Reference yield: 50.0%

1-methyl-1H-1,2,3-triazole-4-carboxylate d'ethyle (39039-48-0) → 1-methyl-1H-1,2,3-triazole-4-carboxylic acid (16681-71-3)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In methanol;

upstream raw materials:

1-methyl-1H-1,2,3-triazole-4-carbaldehyde

methyl azide

Propiolic acid

1-Methyl-4-trinitromethyl-1,2,3-triazole

Downstream raw materials:

1-methyl-1,2,3-triazole

4-(N-Bocamino)-1-methyl-1,2,3-triazole

Refernces

• 1、 -. "FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF". . . Retrieved 2009/06/27.