1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-

Base Information

• Chemical Name: 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-
• CAS No.: 131073-50-2
• Molecular Formula: C12H9N5O3
• Molecular Weight: 271.2316
• DSSTox Substance ID: DTXSID90156868
• Nikkaji Number: J325.597B
• Wikidata: Q83024984

Synonyms:BRN 3624588;131073-50-2;1-Methyl-5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1H-pyrazole-4-carboxylic acid;1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-;DTXSID90156868;LS-128358;1-Methyl-5-[(3,4-dihydro-4-oxo-1,2,3-benzotriazin)-3-yl]-1H-pyrazole-4-carboxylic acid

Chemical Property of 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-

Chemical Property:

• Vapor Pressure: 1.32E-11mmHg at 25°C
• Boiling Point: 519.2°C at 760 mmHg
• Flash Point: 267.8°C
• Density: 1.62g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 271.07053917
• Heavy Atom Count: 20
• Complexity: 454

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C(=C(C=N1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

Technology Process of 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-

There total 1 articles about 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)- 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:

N-(1-methyl-4-carboxypyrazol-5-yl)-2-aminobenzamide (115445-63-1) → 1-Methyl-5-(4-oxo-4H-benzo[d][1,2,3]triazin-3-yl)-1H-pyrazole-4-carboxylic acid (131073-50-2)

Guidance literature:

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 1-Methyl-5-(4-oxo-4H-benzo[d][1,2,3]triazin-3-yl)-1H-pyrazole-4-carboxylic acid (131073-50-2) → 1-Methyl-5-(4-oxo-4H-benzo[d][1,2,3]triazin-3-yl)-1H-pyrazole-4-carboxylic acid methyl ester (131073-52-4)

Guidance literature:

In diethyl ether; ethanol; Ambient temperature;

upstream raw materials:

N-(1-methyl-4-carboxypyrazol-5-yl)-2-aminobenzamide

Downstream raw materials:

1-Methyl-5-(4-oxo-4H-benzo[d][1,2,3]triazin-3-yl)-1H-pyrazole-4-carboxylic acid methyl ester

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