Cas no 940948-30-1 (1-(Benzenesulfonyl)-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine)

1-(Benzenesulfonyl)-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine is a halogenated heterocyclic compound featuring a fused pyrrolopyridine core with benzenesulfonyl, chloro, and iodo substituents. This structure enhances its reactivity, making it a valuable intermediate in organic synthesis, particularly for cross-coupling reactions such as Suzuki or Sonogashira couplings. The presence of both chloro and iodo groups offers selective functionalization opportunities, while the benzenesulfonyl moiety provides stability and facilitates further derivatization. Its well-defined molecular architecture is advantageous for pharmaceutical and agrochemical research, where precise modification of the pyrrolopyridine scaffold is required. The compound’s high purity and consistent performance make it suitable for demanding synthetic applications.
1-(Benzenesulfonyl)-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine structure
940948-30-1 structure
Product Name:1-(Benzenesulfonyl)-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine
CAS No:940948-30-1
MF:C13H8ClIN2O2S
MW:418.637292861938
MDL:MFCD12923119
CID:796681
PubChem ID:44195473
Update Time:2025-06-07

1-(Benzenesulfonyl)-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine Chemical and Physical Properties

Names and Identifiers

    • 1-Benzenesulfonyl-4-chloro-2-iodo-7-azaindole
    • 1-(Benzenesulfonyl)-4-chloro-2-iodo-pyrrolo[2,3-b]pyridine
    • 1-(benzenesulfonyl)-4-chloro-2-iodopyrrolo[2,3-b]pyridine
    • 1-(Phenylsulphonyl)-4-chloro-2-iodo-7-azaindole
    • 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-2-iodo-1-(phenylsulfonyl)-
    • 4-Chloro-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
    • 1-benzenesulfonyl-4-chloro-2-iodo-1H-pyrrolo-[2,3-b]pyridine
    • 1-(benzenesulfonyl)-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine
    • VP12924
    • PB24059
    • OR308048
    • ST1090500
    • AX8159743
    • AB0027778
    • 4-Chloro-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (ACI)
    • 1-(Phenylsulfonyl)-4-chloro-2-iodopyrrolo[2,3-b]pyridine
    • 1H-Pyrrolo[2,3-b]pyridine,4-chloro-2-iodo-1-(phenylsulfonyl)-
    • CS-B0585
    • SY097905
    • J-503489
    • 4-Chloro-2-iodo-1-(phenylsulfonyl)-7-azaindole
    • DTXSID30657824
    • SCHEMBL5661951
    • DB-113219
    • AS-31494
    • AKOS015949334
    • 1-(BENZENSULFONYL)-4-CHLORO-2-IODO-PYRROLO[2,3-b]PYRIDINE[940948-30-1]
    • 940948-30-1
    • MFCD12923119
    • 1-(Benzenesulfonyl)-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine
    • MDL： MFCD12923119
    • Inchi： 1S/C13H8ClIN2O2S/c14-11-6-7-16-13-10(11)8-12(15)17(13)20(18,19)9-4-2-1-3-5-9/h1-8H
    • InChI Key： QOYGFOVKGYRFHN-UHFFFAOYSA-N
    • SMILES： O=S(N1C2C(=C(C=CN=2)Cl)C=C1I)(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 417.90400
  • Monoisotopic Mass: 417.904
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 450
  • 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: 1.91±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 135 oC
  • Boiling Point: 541°C at 760 mmHg
  • Flash Point: 281°C
  • Refractive Index: 1.745
  • Solubility: Insuluble (2.5E-3 g/L) (25 oC),
  • PSA: 60.34000
  • LogP: 4.61210

1-(Benzenesulfonyl)-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine Security Information

1-(Benzenesulfonyl)-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-(Benzenesulfonyl)-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine Pricemore >>

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1-(Benzenesulfonyl)-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ,  Hexane ;  10 min, -78 °C; 1 h, -78 °C
1.2 Reagents: Iodine ;  30 min, -78 °C
1.3 Reagents: Water
Reference
Preparation of heterocyclyl substituted pyrrolopyridines, especially pyrazolopyridazinylpyrrolopyridinyl acryloylamino acid amide derivatives, as inhibitors of the CDK12 kinase
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Diisopropylamine ,  Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  -40 °C; 20 min, -40 °C; -40 °C → 0 °C
1.2 40 min, 0 °C; 0 °C → -78 °C
1.3 Reagents: Iodine Solvents: Tetrahydrofuran ;  3 h, -78 °C; -78 °C → rt; 1 h, rt
1.4 Reagents: Sodium thiosulfate Solvents: Water
Reference
Trisubstituted Imidazoles with a Rigidized Hinge Binding Motif Act As Single Digit nM Inhibitors of Clinically Relevant EGFR L858R/T790M and L858R/T790M/C797S Mutants: An Example of Target Hopping
Juchum, Michael; Guenther, Marcel; Doering, Eva; Sievers-Engler, Adrian; Laemmerhofer, Michael; et al, Journal of Medicinal Chemistry, 2017, 60(11), 4636-4656

Production Method 3

Reaction Conditions
1.1 Reagents: N,N,N′,N′-Tetramethylethylenediamine ,  Lithium diisopropylamide Solvents: Tetrahydrofuran ;  -70 °C; 1 h, -70 °C
1.2 Reagents: Iodine Solvents: Tetrahydrofuran
1.3 Reagents: Ammonium chloride
Reference
A highly effective synthesis of 2-alkynyl-7-azaindoles: Pd/C-mediated alkynylation of heteroaryl halides in water
Layek, Mohosin; Gajare, Vikas; Kalita, Dipak; Islam, Aminul; Mukkanti, K.; et al, Tetrahedron, 2009, 65(25), 4814-4819

Production Method 4

Reaction Conditions
Reference
Preparation of indole, 6- and 7-azaindole derivatives and their use as inhibitors of ferroptosis regulated cell death
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
Reference
Preparation of pyrrolo[2,3-b]pyridines as inhibitors of kinases for the treatment of cancer
, World Intellectual Property Organization, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ;  30 min, -78 °C
1.2 Reagents: Iodine Solvents: Tetrahydrofuran ;  4 h, -78 °C
1.3 Reagents: Sodium thiosulfate Solvents: Water
Reference
Preparation of pyrrolo[2,3-b]pyridines as inhibitors of kinases for the treatment of cancer
, United States, , ,

1-(Benzenesulfonyl)-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine Raw materials

1-(Benzenesulfonyl)-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine Preparation Products

1-(Benzenesulfonyl)-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine Related Literature

940948-30-1 (1-(Benzenesulfonyl)-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine) Related Products

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