Ethyl 2-methyl-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate

Base Information

• Chemical Name: Ethyl 2-methyl-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate
• CAS No.: 1848-42-6
• Molecular Formula: C11H12N2O3
• Molecular Weight: 220.22500
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70701254
• Nikkaji Number: J102.750F
• Wikidata: Q82632846
• Mol file: 1848-42-6.mol

Synonyms:1848-42-6;Ethyl 2-methyl-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate;Ethyl 2-methyl-3-oxoindazole-1-carboxylate;2,3-Dihydro-2-methyl-3-oxo-1H-indazole-1-carboxylic acid ethyl ester;1h-indazole-1-carboxylic acid,2,3-dihydro-2-methyl-3-oxo-,ethyl ester;DTXSID70701254;1-Indazolinecarboxylic acid, 2-methyl-3-oxo-, ethyl ester;Ethyl2-methyl-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate

Chemical Property of Ethyl 2-methyl-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate

Chemical Property:

• PSA: 53.23000
• LogP: 1.34460
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.08479225
• Heavy Atom Count: 16
• Complexity: 306

Purity/Quality:

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

Ethyl2-methyl-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1C2=CC=CC=C2C(=O)N1C

Technology Process of Ethyl 2-methyl-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate

There total 4 articles about Ethyl 2-methyl-3-oxo-2,3-dihydro-1H-indazole-1-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:

ethyl 2,3-dihydro-3-oxo-1H-indazole-1-carboxylate (16105-24-1) → 2-methyl-3-oxo-2,3-dihydro-indazole-1-carboxylic acid ethyl ester (1848-42-6)

Guidance literature:

With potassium hydroxide; Yield given. Multistep reaction; 1.) C₂H₅OH, 2.) C₂H₅OH, reflux, 6 h;

DOI:10.1021/jm00372a011

Reference yield:

3-indazolinone (7364-25-2) → 2-methyl-3-oxo-2,3-dihydro-indazole-1-carboxylic acid ethyl ester (1848-42-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / pyridine / 2 h / Heating

2: 1.) KOH / 1.) C₂H₅OH, 2.) C₂H₅OH, reflux, 6 h

With pyridine; potassium hydroxide;

DOI:10.1021/jm00372a011

Reference yield:

1-N-ethoxycarbonyl-3-hydroxy-1H-indazole (16105-24-1) + methyl iodide (74-88-4) → 2-methyl-3-oxo-2,3-dihydro-indazole-1-carboxylic acid ethyl ester (1848-42-6) + 1-N-ethoxycarbonyl-3-methoxy-1H-indazole (91087-91-1)

Guidance literature:

In acetone; for 24h; Reflux; Alkaline conditions;

DOI:10.1016/j.ejmech.2012.10.009

upstream raw materials:

ethyl 2,3-dihydro-3-oxo-1H-indazole-1-carboxylate

3-indazolinone

1-N-ethoxycarbonyl-3-hydroxy-1H-indazole

methyl iodide

Downstream raw materials:

2-Methyl-indazolon

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