4-Fluoro-3-methyl-1H-indazole

Base Information

• Chemical Name: 4-Fluoro-3-methyl-1H-indazole
• CAS No.: 662146-05-6
• Molecular Formula: C₈H₇FN₂
• Molecular Weight: 150.155
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID40384437
• Wikidata: Q82176579
• Mol file: 662146-05-6.mol

Synonyms:4-Fluoro-3-methyl-1H-indazole;662146-05-6;4-fluoro-3-methyl-2H-indazole;1145777-43-0;1H-INDAZOLE, 4-FLUORO-3-METHYL-;4-fluoro-3-methyl-1h-indazol;SCHEMBL3443437;2h-indazole,4-fluoro-3-methyl-;DTXSID40384437;PTONAHDKOCUIPS-UHFFFAOYSA-N;CCG-47017;MFCD04109834;AKOS006295669;KS-9835;MB03173;A857820;SR-01000636675-1

Chemical Property of 4-Fluoro-3-methyl-1H-indazole

Chemical Property:

• PSA: 28.68000
• LogP: 2.01040
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.05932639
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

4-Fluoro-3-methyl-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=NN1)C=CC=C2F

Technology Process of 4-Fluoro-3-methyl-1H-indazole

There total 2 articles about 4-Fluoro-3-methyl-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: 85.0%

2,6-difluoroacetophenone (13670-99-0) → 4-fluoro-3-methyl-1H-indazole (662146-05-6)

Guidance literature:

With hydrazine; at 150 ℃; for 0.0833333h; Microwave irradiation;

Reference yield: 85.0%

2,6-difluoroacetophenone (13670-99-0) + hydrazine (302-01-2,78206-91-4,119775-10-9,75013-58-0) → 4-fluoro-3-methyl-1H-indazole (662146-05-6)

Guidance literature:

at 150 ℃; for 0.0833333h; Microwave irradiation;

Reference yield:

1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole (124627-86-7,132563-70-3,132563-77-0,135270-07-4,135270-10-9,135270-13-2,141611-70-3,127000-90-2) + 4-fluoro-3-methyl-1H-indazole (662146-05-6) → (2R,3R)-2-(2,4-difluorophenyl)-3-(4-fluoro-3-methyl-1H-indazol-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (912811-29-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃;

DOI:10.1016/j.bmcl.2007.03.074

upstream raw materials:

2,6-difluoroacetophenone

hydrazine

Downstream raw materials:

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-fluoro-3-methyl-1H-indazol-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

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