1H-Indazole-1-carboxylic acid, 5-fluoro-2,3-dihydro-3-oxo-, ethyl ester

Base Information

• Chemical Name: 1H-Indazole-1-carboxylic acid, 5-fluoro-2,3-dihydro-3-oxo-, ethyl ester
• CAS No.: 889884-99-5
• Molecular Formula: C₁₀H₉FN₂O₃
• Molecular Weight: 224.191
• DSSTox Substance ID: DTXSID70701370
• Wikidata: Q82632988
• Mol file: 889884-99-5.mol

Synonyms:889884-99-5;1H-INDAZOLE-1-CARBOXYLIC ACID, 5-FLUORO-2,3-DIHYDRO-3-OXO-, ETHYL ESTER;SCHEMBL8252276;DTXSID70701370;AB60857;ETHYL 5-FLUORO-3-OXO-2,3-DIHYDRO-1H-INDAZOLE-1-CARBOXYLATE

Chemical Property of 1H-Indazole-1-carboxylic acid, 5-fluoro-2,3-dihydro-3-oxo-, ethyl ester

Chemical Property:

• PSA: 64.35000
• LogP: 1.88560
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 224.05972032
• Heavy Atom Count: 16
• Complexity: 310

Purity/Quality:

98%min ^*data from raw suppliers

1H-INDAZOLE-1-CARBOXYLICACID,5-FLUORO-2,3-DIHYDRO-3-OXO-,ETHYLESTER 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1C2=C(C=C(C=C2)F)C(=O)N1

Technology Process of 1H-Indazole-1-carboxylic acid, 5-fluoro-2,3-dihydro-3-oxo-, ethyl ester

There total 1 articles about 1H-Indazole-1-carboxylic acid, 5-fluoro-2,3-dihydro-3-oxo-, ethyl ester 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: 77.0%

5-fluoro-1,2-dihydro-indazol-3-one (885519-12-0) + chloroformic acid ethyl ester (541-41-3) → C10H9FN2O3 (889884-99-5)

Guidance literature:

In pyridine; at 0 ℃; for 3h; Heating / reflux;

upstream raw materials:

5-fluoro-1,2-dihydro-indazol-3-one

chloroformic acid ethyl ester