5-(2-Fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione | CAS No. 1150560-59-0

5-(2-Fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione

Basic Information

CAS Number

1150560-59-0

Molecular Formula

C20H15F5N2O3

Molecular Weight

426.34 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (3.1E-5 g/L) (25 ºC),

COc1cccc(c1F)c1c(=O)[nH]c(=O)n(c1C)Cc1c(F)cccc1C(F)(F)F

InChI

InChI=1S/C20H15F5N2O3/c1-10-16(11-5-3-8-15(30-2)17(11)22)18(28)26-19(29)27(10)9-12-13(20(23,24)25)6-4-7-14(12)21/h3-8H,9H2,1-2H3,(H,26,28,29)

InChIKey

RKWZHFVZKOVXSK-UHFFFAOYSA-N

LogP

3.8659200000000027

Topological Polar Surface Area

64.09 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

711

Synonyms & References

English

  • 5-(2-fluoro-3-methoxy-phenyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1H-pyrimidine-2,4- dione
  • 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1h,3h)-pyrimidinedione
  • 5-(2-Fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione
  • 5-(2-Fluoro-3-methoxyphenyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione
  • 5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
  • Elagolix intermediate 6

MDL Number

MFCD30570283

FAQ

What are the physical and chemical properties of 5-(2-Fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione (CAS: 1150560-59-0)?

The compound has a crystalline form and a molecular weight of approximately 519.26 g/mol. It has low water solubility but good solubility in organic solvents like DMSO. It is moderately reactive, showing亲电性 towards nucleophiles. This compound has a high melting point and is stable under normal conditions.

How is 5-(2-Fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione (CAS: 1150560-59-0) typically synthesized?

This compound can be synthesized through a multi-step process involving Friedel-Crafts alkylation and alkylation reactions, followed by selective amination. The use of trifluoromethylbenzyl halide and appropriate catalysts is crucial for achieving high yield and selectivity. The reaction is typically performed under solvent-free conditions to improve efficiency.

What industries use 5-(2-Fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione (CAS: 1150560-59-0)?

This compound is primarily used in the pharmaceutical industry for the development of novel drugs. It also has potential applications in the polymer industry for the synthesis of advanced materials and in the semiconductor industry for the production of sensors and other electronic components.

What precautions should be taken when handling 5-(2-Fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione (CAS: 1150560-59-0)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn when handling this compound. It should be stored in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

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