Cas no 872355-63-0 (Methyl 1H-pyrrolo[3,2-b]pyridine-5-carboxylate)

Methyl 1H-pyrrolo[3,2-b]pyridine-5-carboxylate structure
872355-63-0 structure
Product Name:Methyl 1H-pyrrolo[3,2-b]pyridine-5-carboxylate
CAS No:872355-63-0
MF:C9H8N2O2
MW:176.172021865845
MDL:MFCD09965878
CID:719444
PubChem ID:329771975
Update Time:2024-10-26

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

Names and Identifiers

    • Methyl 1H-pyrrolo[3,2-b]pyridine-5-carboxylate
    • 1H-Pyrrolo[3,2-b]pyridine-5-carboxylicacid, methyl ester
    • 4-Azaindole-5-carboxylicacid methylester
    • 4-AZAINDOLE-5-CARBOXYLIC ACID METHYL ESTER
    • MBGFQGFFXXEMIA-UHFFFAOYSA-N
    • SB15666
    • AB0032290
    • ST24030865
    • X5584
    • Methyl 1H-pyrrolo[3,2-b]pyridine-5-carboxylate, AldrichCPR
    • Methyl 1H-pyrrolo[3,2-b]pyridine-5-carboxylate (ACI)
    • FS-3564
    • XJB35563
    • CS-W006592
    • DB-029367
    • DTXSID70649804
    • Methyl 1H-pyrrolo[3 pound not2-b]pyridine-5-carboxylate
    • AKOS006314445
    • 872355-63-0
    • SCHEMBL756526
    • Methyl 4-Azaindole-5-carboxylate
    • Z1198266744
    • MFCD09965878
    • J-514470
    • SY104292
    • MDL： MFCD09965878
    • Inchi： 1S/C9H8N2O2/c1-13-9(12)8-3-2-6-7(11-8)4-5-10-6/h2-5,10H,1H3
    • InChI Key： MBGFQGFFXXEMIA-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC2=C(C=CN2)N=1)OC

Computed Properties

  • Exact Mass: 176.05900
  • Monoisotopic Mass: 176.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 208
  • 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: 55
  • XLogP3: 1.3

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Density: 1.324
  • Melting Point: No data available
  • Boiling Point: 354.8±22.0 °C at 760 mmHg
  • Flash Point: 168.4±22.3 °C
  • PSA: 54.98000
  • LogP: 1.34950

Methyl 1H-pyrrolo[3,2-b]pyridine-5-carboxylate Security Information

Methyl 1H-pyrrolo[3,2-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%

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Methyl 1H-pyrrolo[3,2-b]pyridine-5-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  66 °C
Reference
Synthesis and antiproliferative activity of pyrrolo[3,2-b]pyridine derivatives against melanoma
Kim, Hee Jin; et al, Bioorganic & Medicinal Chemistry Letters, 2010, 20(1), 413-417

Production Method 2

Reaction Conditions
1.1 Catalysts: Cuprous iodide ,  Dichlorobis(triphenylphosphine)palladium
1.2 Reagents: Pyridine Solvents: Dichloromethane
2.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  66 °C
Reference
Synthesis and antiproliferative activity of pyrrolo[3,2-b]pyridine derivatives against melanoma
Kim, Hee Jin; et al, Bioorganic & Medicinal Chemistry Letters, 2010, 20(1), 413-417

Production Method 3

Reaction Conditions
1.1 Reagents: Iodine ,  Sodium periodate Solvents: Dimethylformamide ;  60 °C
2.1 Catalysts: Cuprous iodide ,  Dichlorobis(triphenylphosphine)palladium
2.2 Reagents: Pyridine Solvents: Dichloromethane
3.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  66 °C
Reference
Synthesis and antiproliferative activity of pyrrolo[3,2-b]pyridine derivatives against melanoma
Kim, Hee Jin; et al, Bioorganic & Medicinal Chemistry Letters, 2010, 20(1), 413-417

Production Method 4

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Methanol ;  reflux
2.1 Reagents: Iodine ,  Sodium periodate Solvents: Dimethylformamide ;  60 °C
3.1 Catalysts: Cuprous iodide ,  Dichlorobis(triphenylphosphine)palladium
3.2 Reagents: Pyridine Solvents: Dichloromethane
4.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  66 °C
Reference
Synthesis and antiproliferative activity of pyrrolo[3,2-b]pyridine derivatives against melanoma
Kim, Hee Jin; et al, Bioorganic & Medicinal Chemistry Letters, 2010, 20(1), 413-417

Methyl 1H-pyrrolo[3,2-b]pyridine-5-carboxylate Raw materials

Methyl 1H-pyrrolo[3,2-b]pyridine-5-carboxylate Preparation Products

Methyl 1H-pyrrolo[3,2-b]pyridine-5-carboxylate Suppliers

Amadis Chemical Company Limited
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(CAS:872355-63-0)Methyl 1H-pyrrolo[3,2-b]pyridine-5-carboxylate
Order Number:A862709
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:37
Price ($):571.0

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872355-63-0 (Methyl 1H-pyrrolo[3,2-b]pyridine-5-carboxylate) Related Products

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Amadis Chemical Company Limited
(CAS:872355-63-0)Methyl 1H-pyrrolo[3,2-b]pyridine-5-carboxylate
A862709
Purity:99%
Quantity:5g
Price ($):571.0
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