1-Methyl-1H-1,2,3-triazole-5-carboxylic acid

Base Information

• Chemical Name: 1-Methyl-1H-1,2,3-triazole-5-carboxylic acid
• CAS No.: 716361-91-0
• Molecular Formula: C4H5N3O2
• Molecular Weight: 127.1014
• Hs Code.: 2933990090
• Mol file: 716361-91-0.mol

Synonyms:1H-1,2,3-triazole-5-carboxylic acid, 1-methyl-; 1-Methyl-1H-1,2,3-triazole-5-carboxylic acid

Chemical Property of 1-Methyl-1H-1,2,3-triazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.61E-05mmHg at 25°C
• Melting Point: 188 °C (decomp)
• Boiling Point: 350.7°C at 760 mmHg
• PKA: 3.36±0.50(Predicted)
• Flash Point: 165.9°C
• PSA: 68.01000
• Density: 1.54g/cm³
• LogP: -0.48670
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-1H-1,2,3-triazole-5-carboxylic acid 95+% ^*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-5-carboxylic acid is used as a reactant in the preparation of benzimidazolylazabicyclooctylethylpiperidine Ccr5 antagonists in treatment of bacterial and viral infections and other diseases.

Technology Process of 1-Methyl-1H-1,2,3-triazole-5-carboxylic acid

There total 5 articles about 1-Methyl-1H-1,2,3-triazole-5-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: 16.0%

3(1)-methyl-3H(1H)-1,2,3-triazole-4(5)-carboxylate d'ethyle (137156-35-5) → 1-methyl-1H-1,2,3-triazole-5-carboxylic acid (716361-91-0)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In methanol;

Reference yield:

1-methyl-1H-1,2,3-triazole-5-carbaldehyde (202931-88-2) → 1-methyl-1H-1,2,3-triazole-5-carboxylic acid (716361-91-0)

Guidance literature:

With potassium permanganate; sodium hydroxide; In water; at 15 ℃; for 1.5h; Reflux;

DOI:10.1021/acsmedchemlett.5b00059

Reference yield:

1-methyl-1,2,3-triazole (16681-65-5) + carbon dioxide (124-38-9,18923-20-1) → 1-methyl-1H-1,2,3-triazole-5-carboxylic acid (716361-91-0)

Guidance literature:

1-methyl-1,2,3-triazole; With n-butyllithium; In tetrahydrofuran; hexane; at -45 - -35 ℃; for 0.666667h;

carbon dioxide; In tetrahydrofuran; hexane; for 2h;

upstream raw materials:

1-methyl-1H-1,2,3-triazole-5-carbaldehyde

3⁽¹⁾-methyl-3H(1H)-1,2,3-triazole-4⁽⁵⁾-carboxylate d'ethyle

1-methyl-1,2,3-triazole

carbon dioxide

Downstream raw materials:

C₄H₄ClN₃O

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