Cas no 885500-55-0 (Ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate)

Ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate structure
885500-55-0 structure
Product Name:Ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CAS No:885500-55-0
MF:C10H9ClN2O2
MW:224.643661260605
MDL:MFCD15529249
CID:629058
PubChem ID:53438275
Update Time:2024-12-09

Ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
    • 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-, ethyl ester
    • 4-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID ETHYL ESTER
    • 4-Chloro-7-azaindole-5-carboxylic acid ethyl ester
    • ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-caboxylate
    • Ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (ACI)
    • CS-B0566
    • YFJJWKAUSJQWAZ-UHFFFAOYSA-N
    • ethyl 4-chloro-1H-pyrrolo[2,3-b]-pyridine-5-carboxylate
    • DTXSID90701231
    • P11815
    • MFCD15529249
    • Ethyl4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
    • DA-19473
    • 885500-55-0
    • AKOS016002002
    • SY106284
    • DS-17731
    • SCHEMBL566667
    • PB13664
    • Ethyl 4-Chloro-7-azaindole-5-carboxylate
    • BCP14348
    • MDL: MFCD15529249
    • Inchi: 1S/C10H9ClN2O2/c1-2-15-10(14)7-5-13-9-6(8(7)11)3-4-12-9/h3-5H,2H2,1H3,(H,12,13)
    • InChI Key: YFJJWKAUSJQWAZ-UHFFFAOYSA-N
    • SMILES: O=C(C1C(Cl)=C2C(NC=C2)=NC=1)OCC

Computed Properties

  • Exact Mass: 224.03500
  • Monoisotopic Mass: 224.035
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 250
  • 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: 55A^2
  • XLogP3: 2.2

Experimental Properties

  • PSA: 54.98000
  • LogP: 2.39300

Ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate 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%

Ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate Pricemore >>

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Ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: sec-Butyllithium Solvents: Tetrahydrofuran ,  Hexane ,  Cyclohexane ;  -78 °C; 1 h, -78 °C
1.2 30 min, -78 °C
1.3 Reagents: Ammonium chloride Solvents: Water
Reference
Synthesis and evaluation of 1H-pyrrolo[2,3-b]pyridine derivatives as novel immunomodulators targeting Janus kinase 3
Nakajima, Yutaka; Tojo, Takashi; Morita, Masataka; Hatanaka, Keiko; Shirakami, Shohei; et al, Chemical & Pharmaceutical Bulletin, 2015, 63(5), 341-353

Production Method 2

Reaction Conditions
1.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  1 h, 0 °C
Reference
Design and synthesis of tricyclic cores for kinase inhibition
Van Epps, Stacy; Fiamengo, Bryan; Edmunds, Jeremy; Ericsson, Anna; Frank, Kristine; et al, Bioorganic & Medicinal Chemistry Letters, 2013, 23(3), 693-698

Ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate Raw materials

Ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate Preparation Products

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