1H-Indazole-5-carbonitrile,6-fluoro-(9CI)

Base Information

• Chemical Name: 1H-Indazole-5-carbonitrile,6-fluoro-(9CI)
• CAS No.: 633327-11-4
• Molecular Formula: C8H4FN3
• Molecular Weight: 161.13600
• Hs Code.: 2933998090
• Mol file: 633327-11-4.mol

Synonyms:INDAZOLE-5-CARBONITRILE,6-FLUORO;1H-INDAZOLE-5-CARBONITRILE,6-FLUORO;

Chemical Property of 1H-Indazole-5-carbonitrile,6-fluoro-(9CI)

Chemical Property:

• Boiling Point: 367.5±22.0 °C(Predicted)
• PKA: 11.41±0.40(Predicted)
• PSA: 52.47000
• Density: 1.44±0.1 g/cm3(Predicted)
• LogP: 1.57368
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

95% purity ^*data from raw suppliers

6-fluoro-1H-indazole-5-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Indazole-5-carbonitrile,6-fluoro-(9CI)

There total 5 articles about 1H-Indazole-5-carbonitrile,6-fluoro-(9CI) 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:

zinc(II) cyanide (557-21-1) + 1-(5-bromo-6-fluoro-1H-indazol-1-yl)ethan-1-one (633335-81-6) → 6-fluoro-1H-indazole-5-carbonitrile (633327-11-4) + 5-bromo-6-fluoro-1H-indazole (105391-70-6)

Guidance literature:

zinc(II) cyanide; 1-(5-bromo-6-fluoro-1H-indazol-1-yl)ethan-1-one; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 120 - 130 ℃; for 36h; Inert atmosphere;

With water; sodium hydrogencarbonate; In ethyl acetate;

Reference yield:

zinc(II) cyanide (557-21-1) + 5-bromo-6-fluoro-1H-indazole (105391-70-6) → 6-fluoro-1H-indazole-5-carbonitrile (633327-11-4)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 115 ℃; for 90h; Inert atmosphere;

Reference yield:

2,4-difluoro-5-formylbenzonitrile (633327-10-3) → 6-fluoro-1H-indazole-5-carbonitrile (633327-11-4)

Guidance literature:

With pyridine; hydrazine; at 20 ℃; for 2h;

upstream raw materials:

2,4-difluoro-5-formylbenzonitrile

4-bromo-5-fluoro-2-methylaniline

zinc(II) cyanide

1-(5-bromo-6-fluoro-1H-indazol-1-yl)ethan-1-one

Downstream raw materials:

6-fluoro-1H-indazole-5-carbaldehyde

Refernces

• 1、 -. "OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS". . . Retrieved 2011/07/07.