1-(1H-Indazol-5-yl)ethanone

Base Information

• Chemical Name: 1-(1H-Indazol-5-yl)ethanone
• CAS No.: 1001906-63-3
• Molecular Formula: C₉H₈N₂O
• Molecular Weight: 160.175
• Hs Code.: 2933998090
• Mol file: 1001906-63-3.mol

Synonyms:1-(1H-indazol-5-yl)ethanone;5-Acetyl-1H-indazole

Chemical Property of 1-(1H-Indazol-5-yl)ethanone

Chemical Property:

• Boiling Point: 348.8 °C at 760 mmHg
• PKA: 12.77±0.40(Predicted)
• Flash Point: 168.8 °C
• PSA: 45.75000
• Density: 1.264 g/cm³
• LogP: 1.76550
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

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

1-(1H-indazol-5-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(1H-Indazol-5-yl)ethanone

There total 4 articles about 1-(1H-Indazol-5-yl)ethanone 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:

1-(1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl)ethanone (1173003-55-8) → 1-(1H-indazole-5-yl)-ethanone (1001906-63-3)

Guidance literature:

1-(1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl)ethanone; With hydrogenchloride; water; In methanol; at 50 ℃; for 8.5h;

With sodium carbonate; In methanol; water; pH=10;

Reference yield:

tert-butyl 5-acetyl-1H-indazole-1-carboxylate (877264-73-8) → 1-(1H-indazole-5-yl)-ethanone (1001906-63-3)

Guidance literature:

tert-butyl 5-acetyl-1H-indazole-1-carboxylate; With hydrogenchloride; water; In tetrahydrofuran; for 25h;

With sodium carbonate; In water; ethyl acetate;

Reference yield:

1H-indazole-5-carboxylic acid (61700-61-6) → 1-(1H-indazole-5-yl)-ethanone (1001906-63-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane; N,N-dimethyl-formamide / 24 h / 20 °C

2: tetrahydrofuran / 0 - 20 °C

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2011.01.001

upstream raw materials:

tert-butyl 5-acetyl-1H-indazole-1-carboxylate

1-(1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl)ethanone

N-methoxy-N-methyl-1H-indazole-5-carboxamide

methylmagnesium chloride

Downstream raw materials:

4-(1H-indazol-5-yl)-N-phenyl-1,3-thiazol-2-amine

N-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine

4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine

tert-butyl 5-acetyl-1H-indazole-1-carboxylate

Refernces

• 1、 -. "AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME". Page/Page column 52-53. . Retrieved 2009/09/04.