Methyl 6-fluoro-1H-indazole-3-carboxylate

Base Information

• Chemical Name: Methyl 6-fluoro-1H-indazole-3-carboxylate
• CAS No.: 885279-26-5
• Molecular Formula: C₉H₇FN₂O₂
• Molecular Weight: 194.165
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID60696367
• Wikidata: Q82625925
• Mol file: 885279-26-5.mol

Synonyms:METHYL 6-FLUORO-1H-INDAZOLE-3-CARBOXYLATE;885279-26-5;METHYL6-FLUORO-1H-INDAZOLE-3-CARBOXYLATE;1H-Indazole-3-carboxylic acid, 6-fluoro-, methyl ester;SCHEMBL15882110;DTXSID60696367;SENDDNMBMSOQCD-UHFFFAOYSA-N;MFCD07371604;AKOS006285327;SB16340;DS-17647;AM20120479;CS-0043028;FT-0718005;A22058;6-Fluoro-1H-indazole-3-carboxylic acid methyl ester

Chemical Property of Methyl 6-fluoro-1H-indazole-3-carboxylate

Chemical Property:

• PSA: 54.98000
• LogP: 1.48860
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 194.04915563
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

Methyl6-Fluoro-1H-indazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=NNC2=C1C=CC(=C2)F

Technology Process of Methyl 6-fluoro-1H-indazole-3-carboxylate

There total 1 articles about Methyl 6-fluoro-1H-indazole-3-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: 15.0%

methanol (67-56-1) + 6-fluoroisatin (324-03-8) → methyl 6-fluoro-1H-indazole-3-carboxylate (885279-26-5)

Guidance literature:

6-fluoroisatin; With sodium hydroxide; In water; at 20 ℃;

With sulfuric acid; sodium nitrite; In water; at 5 ℃;

methanol; Further stages;

Reference yield: 83.0%

methyl 6-fluoro-1H-indazole-3-carboxylate (885279-26-5) + (3-bromophenyl)boronic acid (89598-96-9) → methyl 1-(3-bromophenyl)-6-fluoro-1H-indazole-3-carboxylate

Guidance literature:

With pyridine; oxygen; copper diacetate; In tetrahydrofuran; at 50 ℃; for 6h;

upstream raw materials:

methanol

6-fluoroisatin

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