Ethyl 1-acetyl-1H-indazole-5-carboxylate

Base Information

• Chemical Name: Ethyl 1-acetyl-1H-indazole-5-carboxylate
• CAS No.: 192944-50-6
• Molecular Formula: C₁₂H₁₂N₂O₃
• Molecular Weight: 232.239
• DSSTox Substance ID: DTXSID80364051
• Wikidata: Q82147813
• Mol file: 192944-50-6.mol

Synonyms:Ethyl 1-acetyl-1H-indazole-5-carboxylate;192944-50-6;Ethyl 1-acetylindazole-5-carboxylate;SCHEMBL7426706;DTXSID80364051;1-Acetyl-5-ethoxycarbonyl-indazole;MFCD06858498;FT-0725653;F14042

Chemical Property of Ethyl 1-acetyl-1H-indazole-5-carboxylate

Chemical Property:

• Vapor Pressure: 2.97E-06mmHg at 25°C
• Refractive Index: 1.596
• Boiling Point: 388.9°Cat760mmHg
• Flash Point: 189°C
• PSA: 61.19000
• Density: 1.26g/cm³
• LogP: 1.87310
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 232.08479225
• Heavy Atom Count: 17
• Complexity: 319

Purity/Quality:

97% ^*data from raw suppliers

Ethyl1-acetyl-1H-indazole-5-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(C=C1)N(N=C2)C(=O)C

Technology Process of Ethyl 1-acetyl-1H-indazole-5-carboxylate

There total 5 articles about Ethyl 1-acetyl-1H-indazole-5-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: 82.0%

→ ethyl 1-acetyl-1H-indazole-5-carboxylatee (192944-50-6)

Guidance literature:

Reference yield: 31.0%

1-amino-2-methylbenzene-4-carboxylic acid ethyl ester (40800-65-5) + acetic anhydride (108-24-7) → 1H-indazole-5-carboxylic acid ethyl ester (192944-51-7) + ethyl 1-acetyl-1H-indazole-5-carboxylatee (192944-50-6)

Guidance literature:

1-amino-2-methylbenzene-4-carboxylic acid ethyl ester; acetic anhydride; With potassium acetate; In chloroform; for 1h;

With 18-crown-6 ether; isopentyl nitrite; In chloroform; for 21h; Reflux;

Reference yield:

ethyl 4-acetamido-3-methylbenzoate (808745-05-3) → ethyl 1-acetyl-1H-indazole-5-carboxylatee (192944-50-6)

Guidance literature:

With 18-crown-6 ether; n-Amyl nitrite; In chloroform; Heating;

DOI:10.1021/jm990049j

upstream raw materials:

ethyl 4-acetamido-3-methylbenzoate

1-amino-2-methylbenzene-4-carboxylic acid ethyl ester

4-amino 3-methylbenzoic acid

acetic anhydride

Downstream raw materials:

1H-indazole-5-carboxylic acid ethyl ester

ethyl 1-methyl-1H-indazole-5-carboxylate

ethyl 2-methyl-2H-indazole-5-carboxylate

(1-methyl-1H-indazol-5-yl)methanol