3-Ethoxy-1H-indazole

Base Information

• Chemical Name: 3-Ethoxy-1H-indazole
• CAS No.: 88279-08-7
• Molecular Formula: C₉H₁₀N₂O
• Molecular Weight: 162.191
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50521492
• Mol file: 88279-08-7.mol

Synonyms:3-Ethoxy-1H-indazole;88279-08-7;SCHEMBL8430557;DTXSID50521492;A862255

Chemical Property of 3-Ethoxy-1H-indazole

Chemical Property:

• Melting Point: 83 °C
• Boiling Point: 321.3±15.0 °C(Predicted)
• PKA: 13.44±0.40(Predicted)
• PSA: 37.91000
• Density: 1.196±0.06 g/cm3(Predicted)
• LogP: 1.96160
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 162.079312947
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

3-Ethoxy-1H-indazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=NNC2=CC=CC=C21

Technology Process of 3-Ethoxy-1H-indazole

There total 5 articles about 3-Ethoxy-1H-indazole 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: 66.0%

3-ethoxy-1-tosyl-1H-indazole (1441096-60-1) → 3-ethoxy-1H-indazole (88279-08-7)

Guidance literature:

With tetrabutylammomium bromide; potassium hydroxide; In tetrahydrofuran; water; for 20h; Inert atmosphere; Reflux;

DOI:10.1021/ja4033555

Reference yield: 31.0%

1H-indazol-3-ol (7364-25-2,100922-96-1,70010-33-2) + ethanol (64-17-5) → 3-ethoxy-1H-indazole (88279-08-7)

Guidance literature:

With cyanomethylene triphenylphosphorane; In toluene; at 100 ℃; for 12h;

DOI:10.1055/s-0029-1217954

Reference yield:

ethyl 2-azidobenzimidate → 3-ethoxy-1H-indazole (88279-08-7)

Guidance literature:

In 1,2-dichloro-benzene; at 178 ℃; for 0.5h;

upstream raw materials:

triethyloxonium fluoroborate

3-indazolinone

1H-indazol-3-ol

ethanol

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