5-Chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methyl-4-pyrimidinamine | CAS No. 130339-07-0

5-Chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methyl-4-pyrimidinamine

Basic Information

CAS Number

130339-07-0

Molecular Formula

C15H16ClF2N3O

Molecular Weight

327.76 g/mol

AD

Basic Physical Properties

Melting Point

46~50℃

Boiling Point

431.796°C at 760 mmHg

Density

1.294

Flash Point

214.943°C

Refractive Index

1.565

CCC(C1=CC=C(C=C1)OC(F)F)NC2=NC=NC(=C2Cl)C

InChI

InChI=1S/C15H16ClF2N3O/c1-3-12(21-14-13(16)9(2)19-8-20-14)10-4-6-11(7-5-10)22-15(17)18/h4-8,12,15H,3H2,1-2H3,(H,19,20,21)

InChIKey

NEKULYKCZPJMMJ-UHFFFAOYSA-N

LogP

4.603020000000002

Topological Polar Surface Area

47.04 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

330

Synonyms & References

English

  • 4-PYRIMIDINAMINE, 5-CHLORO-N-(1-(4-(DIFLUOROMETHOXY)PHENYL)PROPYL)-6-METHYL-, (+/-)-
  • HGZ4LD5DT9
  • UNII-HGZ4LD5DT9
  • 4-PYRIMIDINAMINE, 5-CHLORO-N-(1-(4-(DIFLUOROMETHOXY)PHENYL)PROPYL)-6-METHYL-
  • CHEBI:82861
  • 5-CHLORO-N-(1-(4-(DIFLUOROMETHOXY)PHENYL)PROPYL)-6-METHYL-4-PYRIMIDINAMINE
  • DTXSID1057955
  • UBF-002
  • Diflumetorim
  • NEKULYKCZPJMMJ-UHFFFAOYSA-N
  • SCHEMBL23037
  • NS00133788
  • FUMIJUNAN
  • 5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine
  • 130339-07-0
  • Q19278300
  • Diflumetorim [ISO]
  • PYRICUT
  • 5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine
  • 4-Pyrimidinamine,5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methyl-
  • (RS)-5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-ylamine
  • 5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methyl-4-pyrimidinamine
  • rac-5-chloro-N-{(1R)-1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine
  • ubf-002
  • Diflumetorim [iso]
  • DIFLUMETORIM STANDARD
  • diflumetorim (bsi, pa iso)

MDL Number

MFCD03427396

FAQ

What are the physical and chemical properties of 5-Chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methyl-4-pyrimidinamine (CAS: 130339-07-0)?

The compound 5-Chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methyl-4-pyrimidinamine has a crystalline form and a molecular weight of approximately 411.2 g/mol. It has low water solubility but is soluble in organic solvents like DMSO. Chemically, it exhibits moderate reactivity, particularly towards nucleophilic substitution reactions.

How is 5-Chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methyl-4-pyrimidinamine (CAS: 130339-07-0) typically synthesized?

This compound is synthesized via a multi-step process typically involving coupling reactions and protecting group strategies. Commonly, a trifunctional amine is reacted with a difluoromethoxy-substituted phenyl acetylene, followed by coupling with a methylated pyrimidine derivative. The synthesis often employs palladium catalysts and requires high selectivity and yield for efficient production.

What industries use 5-Chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methyl-4-pyrimidinamine (CAS: 130339-07-0)?

5-Chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methyl-4-pyrimidinamine is primarily used in the pharmaceutical industry due to its biological activity. It may also find applications in the semiconductor industry for specific electronic properties and in the polymer industry for specialized polymers.

What precautions should be taken when handling 5-Chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methyl-4-pyrimidinamine (CAS: 130339-07-0)?

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 cool, dry place away from direct sunlight and flammable materials. In case of a spill, immediately clean up with appropriate absorbent materials and ensure proper disposal. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.

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