210992-28-2 | 5-Amino-3-fluorobenzonitrile

CAS:210992-28-2 | 5-Amino-3-fluorobenzonitrile,Description

5-Amino-3-fluorobenzonitrile is a chemical compound with the empirical formula C7H5FN2 and a molecular weight of 136.13. It is provided by Sigma-Aldrich to early discovery researchers as part of a collection of unique chemicals.

Synthesis Analysis

The synthesis of 5-Amino-3-fluorobenzonitrile involves a multi-step reaction with 3 steps. The first step involves CuI, trans-1,2-diaminocyclohexane, and K2CO3 in toluene at 130°C for 18 hours, yielding a 76 percent product. The second step involves NaOH in toluene, yielding a 99 percent product. The final step involves Pd2dba3 and dppf in dimethylformamide at 90°C for 18 hours, yielding an 85 percent product.

Molecular Structure Analysis

The SMILES string for 5-Amino-3-fluorobenzonitrile is Nc1cc(F)cc(c1)C#N. The InChI is 1S/C7H5FN2/c8-6-1-5(4-9)2-7(10)3-6/h1-3H,10H2.

Physical And Chemical Properties Analysis

5-Amino-3-fluorobenzonitrile is a solid. Unfortunately, there is no further information available on its physical and chemical properties.

Scientific Research Applications

• Organic Synthesis : As a fluorinated building block, it can be used in the synthesis of various organic compounds. The presence of both the amino and nitrile groups makes it a versatile reagent in organic synthesis.
• Pharmaceutical Research : Fluorinated compounds are often used in the development of new pharmaceuticals. The unique properties of fluorine can improve the biological activity and selectivity of drugs.
• Material Science : Fluorinated compounds are used in the development of new materials, including polymers and ceramics. The presence of fluorine can enhance the properties of these materials.
• Chemical Synthesis : It can be used in the synthesis of complex molecules, including natural products and pharmaceuticals.
• Chromatography : Fluorinated compounds are used in chromatography as stationary phases due to their unique separation properties.
• Analytical Chemistry : It can be used as a reagent in analytical chemistry for the detection and quantification of various substances.
• Organic Synthesis : As a fluorinated building block, it can be used in the synthesis of various organic compounds. The presence of both the amino and nitrile groups makes it a versatile reagent in organic synthesis.
• Pharmaceutical Research : Fluorinated compounds are often used in the development of new pharmaceuticals. The unique properties of fluorine can improve the biological activity and selectivity of drugs.
• Material Science : Fluorinated compounds are used in the development of new materials, including polymers and ceramics. The presence of fluorine can enhance the properties of these materials.
• Chemical Synthesis : It can be used in the synthesis of complex molecules, including natural products and pharmaceuticals.
• Chromatography : Fluorinated compounds are used in chromatography as stationary phases due to their unique separation properties.
• Analytical Chemistry : It can be used as a reagent in analytical chemistry for the detection and quantification of various substances.

Safety And Hazards

5-Amino-3-fluorobenzonitrile is classified as a non-combustible solid. It has a WGK of 3, and its flash point is not applicable. It is harmful if swallowed, harmful in contact with skin, causes skin irritation, and causes serious eye irritation.

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