5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-methoxybenzenesulfonamide | CAS No. 1015787-98-0

5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-methoxybenzenesulfonamide

Basic Information

CAS Number

1015787-98-0

Molecular Formula

C14H19N5O4S

Molecular Weight

353.4 g/mol

AD

Basic Physical Properties

COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(=O)(=O)N

InChI

InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)

InChIKey

HLWURFKMDLAKOD-UHFFFAOYSA-N

LogP

1.2127

Topological Polar Surface Area

156.44 Ų

Hydrogen Bond Donor/Acceptor

6 / 9

Complexity

512

Synonyms & References

English

  • RO-4926219
  • EOS-6104
  • EOS-61047
  • Gefapixant
  • Gefapixant(AF-219,MK-7264)
  • 5-(2,4-DiaMino-pyriMidin-5-yloxy)-4-isopropyl-2-Methoxy-benzenesulfonaMide
  • RO4926219
  • 6K6L7E3F1L
  • RG1646
  • R1646
  • 5-[(2,4-diaminopyrimidin-5-yl)oxy]-2-methoxy-4-(propan-2-yl)benzene-1-sulfonamide
  • C14H19N5O4S
  • 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylbenzenesulfonamide
  • 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide
  • Benzenesulfonamide, 5-((2,4-diamino-5-pyrimidinyl)oxy)-2-methoxy-4-(1-methylethyl)-
  • Benzenesulfonamide, 5-[(2,4-diamino-5-pyrimid
  • MK-7264
  • AF-219

MDL Number

MFCD24539325

FAQ

What are the physical and chemical properties of 5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-methoxybenzenesulfonamide (CAS: 1015787-98-0)?

5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-methoxybenzenesulfonamide is a white crystalline solid with a molecular weight of approximately 411.4 g/mol. It has low water solubility and high solubility in organic solvents. Chemically, it is stable in air and water but can undergo decomposition under strong acidic or basic conditions. It is reactive towards nucleophiles and electrophiles, making it suitable for various synthetic applications.

How is 5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-methoxybenzenesulfonamide (CAS: 1015787-98-0) typically synthesized?

5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-methoxybenzenesulfonamide is typically synthesized via a multistep reaction involving the introduction of a sulfonamide group onto a 4-isopropyl-2-methoxybenzenol. The synthesis involves the use of sodium hydride as a basic reagent and is carried out in an aprotic solvent like dimethyl sulfoxide (DMSO). The reaction is selective and yields high purity products.

What industries use 5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-methoxybenzenesulfonamide (CAS: 1015787-98-0)?

5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-methoxybenzenesulfonamide is primarily used in the pharmaceutical industry for drug synthesis. It also finds applications in the polymer industry as a functional monomer and in sensor technology due to its reactivity and stability.

What precautions should be taken when handling 5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-methoxybenzenesulfonamide (CAS: 1015787-98-0)?

When handling 5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-methoxybenzenesulfonamide, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The substance should be stored in a fume hood and handled in a well-ventilated area. In case of a spill, it should be cleaned up immediately with appropriate absorbents. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.

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