2,5-Dichloro-N-[2-(isopropylsulfanyl)phenyl]-4-pyrimidinamine | CAS No. 1632485-14-3

2,5-Dichloro-N-[2-(isopropylsulfanyl)phenyl]-4-pyrimidinamine

Basic Information

CAS Number

1632485-14-3

Molecular Formula

C13H13Cl2N3S

Molecular Weight

314.24 g/mol

AD

Basic Physical Properties

CC(C)Sc1ccccc1Nc2c(cnc(n2)Cl)Cl

InChI

InChI=1S/C13H13Cl2N3S/c1-8(2)19-11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12/h3-8H,1-2H3,(H,16,17,18)

InChIKey

XBNWAVDIFJHCOK-UHFFFAOYSA-N

LogP

5.0275000000000025

Topological Polar Surface Area

37.81 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

281

Synonyms & References

English

  • 2,5-dichloro-n-(2-((1-methylethyl)thio)phenyl)-4-pyrimidinamine
  • 2,5-dichloro-N-(2-(isopropylthio)phenyl)pyrimidin-4-amine
  • XBNWAVDIFJHCOK-UHFFFAOYSA-N
  • BCP15575
  • 2,5-dichloro-N-(2-(isopropylthio) phenyl) pyrimidin-4-amine

MDL Number

MFCD28347652

FAQ

What are the physical and chemical properties of 2,5-Dichloro-N-[2-(isopropylsulfanyl)phenyl]-4-pyrimidinamine (CAS: 1632485-14-3)?

2,5-Dichloro-N-[2-(isopropylsulfanyl)phenyl]-4-pyrimidinamine (CAS: 1632485-14-3) is a solid with a molecular weight of approximately 357.06 g/mol. It has a crystalline form and a high melting point, around 200°C. It is slightly soluble in water but soluble in organic solvents like DMSO and DMF. This compound is reactive towards nucleophiles and shows potential for substitution reactions.

How is 2,5-Dichloro-N-[2-(isopropylsulfanyl)phenyl]-4-pyrimidinamine (CAS: 1632485-14-3) typically synthesized?

2,5-Dichloro-N-[2-(isopropylsulfanyl)phenyl]-4-pyrimidinamine is typically synthesized via a multistep process involving the reaction of 2-chloro-4-pyrimidinamine with 2-(isopropylthio)benzaldehyde. The synthesis usually involves a palladium-catalyzed cross-coupling reaction, followed by a nucleophilic substitution step. The yield is around 70-80%, and the purity is above 95%.

What industries use 2,5-Dichloro-N-[2-(isopropylsulfanyl)phenyl]-4-pyrimidinamine (CAS: 1632485-14-3)?

2,5-Dichloro-N-[2-(isopropylsulfanyl)phenyl]-4-pyrimidinamine (CAS: 1632485-14-3) is primarily used in the pharmaceutical industry for the development of new drugs, particularly in antiviral and anticancer drug research. It may also find applications in the sensor and semiconductor industries due to its specific chemical functionality.

What precautions should be taken when handling 2,5-Dichloro-N-[2-(isopropylsulfanyl)phenyl]-4-pyrimidinamine (CAS: 1632485-14-3)?

When handling 2,5-Dichloro-N-[2-(isopropylsulfanyl)phenyl]-4-pyrimidinamine (CAS: 1632485-14-3), it is essential to work in a well-ventilated area or a fume hood. Wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Spills should be carefully cleaned up using appropriate chemical spill kits. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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