Cas no 869335-18-2 (1H-Pyrrolo[2,3-B]pyridine, 4-chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]-)

4-Chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine is a heterocyclic compound featuring a pyrrolopyridine core functionalized with chloro and methyl substituents, as well as a toluenesulfonyl protecting group. This structure confers stability and reactivity, making it a valuable intermediate in organic synthesis, particularly for pharmaceutical and agrochemical applications. The chloro group enhances electrophilic substitution potential, while the sulfonyl moiety improves solubility and facilitates further derivatization. Its well-defined molecular architecture ensures consistent performance in cross-coupling reactions and other transformations. The compound is typically handled under controlled conditions due to its sensitivity to moisture and light. Suitable for research-scale applications, it offers a versatile building block for developing biologically active molecules.
1H-Pyrrolo[2,3-B]pyridine, 4-chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]- structure
869335-18-2 structure
Product Name:1H-Pyrrolo[2,3-B]pyridine, 4-chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]-
CAS No:869335-18-2
MF:C15H13ClN2O2S
MW:320.793921232224
MDL:MFCD11616454
CID:719024
PubChem ID:11638352
Update Time:2025-05-27

1H-Pyrrolo[2,3-B]pyridine, 4-chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[2,3-b]pyridine,4-chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]-
    • 1-(1-benzylazetidin-3-yl)piperidine-4-carboxylic acid
    • 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-3-methyl-1-[(4-methylphenyl)
    • 1-(1-BENZYL-AZETIDIN-3-YL)-PIPERIDINE-4-CARBOXYLIC ACID
    • 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]-
    • 4-Chloro-3-methyl-1-tosyl-1H-pyrrolo[2,3-b]pyridine
    • 1-Tosyl-3-methyl-4-chloro-1H-pyrrolo[2,3-b]pyridine
    • 4-Chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine (ACI)
    • CS-14120
    • 869335-18-2
    • CS-B0528
    • 4-chloro-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
    • AKOS037650026
    • SCHEMBL2888387
    • 1H-Pyrrolo[2,3-B]pyridine, 4-chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]-
    • MDL： MFCD11616454
    • Inchi： 1S/C15H13ClN2O2S/c1-10-3-5-12(6-4-10)21(19,20)18-9-11(2)14-13(16)7-8-17-15(14)18/h3-9H,1-2H3
    • InChI Key： YBJUYMVPMWMUQJ-UHFFFAOYSA-N
    • SMILES： O=S(N1C2C(=C(C=CN=2)Cl)C(C)=C1)(C1C=CC(C)=CC=1)=O

Computed Properties

  • Exact Mass: 320.03900
  • Monoisotopic Mass: 320.0386265g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 471
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 60.3
  • XLogP3: 3.8

Experimental Properties

  • Density: 1.383
  • Boiling Point: 497.7°C at 760 mmHg
  • Flash Point: 254.8°C
  • Refractive Index: 1.654
  • PSA: 60.34000
  • LogP: 4.62430

1H-Pyrrolo[2,3-B]pyridine, 4-chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]- Pricemore >>

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