Cas no 928653-80-9 (tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate)

Tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate is a versatile brominated heterocyclic compound commonly used as an intermediate in pharmaceutical and agrochemical synthesis. Its key advantages include a stable tert-butyloxycarbonyl (Boc) protecting group, which enhances handling and storage stability, and a reactive 5-bromo substituent that facilitates further functionalization via cross-coupling reactions such as Suzuki or Buchwald-Hartwig couplings. The pyrrolopyridine scaffold is of particular interest in medicinal chemistry due to its prevalence in bioactive molecules. This compound offers high purity and consistent reactivity, making it a reliable building block for the development of novel therapeutic agents and functional materials.
tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate structure
928653-80-9 structure
Product Name:tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate
CAS No:928653-80-9
MF:C12H13BrN2O2
MW:297.147822141647
MDL:MFCD08741534
CID:873021
PubChem ID:329771970
Update Time:2025-06-21

tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 5-bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
    • 5-Bromo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester
    • 1-BOC-5-Bromopyrrolo[2,3-b]pyridine
    • PubChem18275
    • tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate
    • 5-bromo-pyrrolo[2,3-b]pyridine-1-carboxylicacidtert-butylester
    • FCH2821186
    • AB48816
    • AX8026232
    • ST2419969
    • V9213
    • FT
    • 1,1-Dimethylethyl 5-bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate (ACI)
    • 5-Bromo-pyrrolo[2,3-b]pyridine-1-carboxylic acidtert-butyl ester
    • DB-029714
    • DTXSID20640124
    • MFCD08741534
    • CS-0063925
    • tert-butyl5-bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
    • 5-Bromo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester, AldrichCPR
    • AKOS015838302
    • SCHEMBL13554542
    • 928653-80-9
    • AS-40156
    • MDL： MFCD08741534
    • Inchi： 1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15/h4-7H,1-3H3
    • InChI Key： IEJVSMXKNBLMND-UHFFFAOYSA-N
    • SMILES： O=C(N1C2C(=CC(=CN=2)Br)C=C1)OC(C)(C)C

Computed Properties

  • Exact Mass: 296.01600
  • Monoisotopic Mass: 296.01604g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 303
  • 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: 44.1
  • XLogP3: 3.2

Experimental Properties

  • PSA: 44.12000
  • LogP: 3.58200

tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H302
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 22
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate Pricemore >>

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tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate Production Method

Production Method 1

Reaction Conditions
Reference
(Pyrrolopyridinyl)pyrimidin-2-ylamine derivatives as cell proliferation inhibitors and their preparation and use in the treatment of tumors
, Germany, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Triethylamine ,  4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  0 °C; 1.5 h, 0 - 5 °C
Reference
Preparation method of 5-hydroxyl-7-azaindole
, China, , ,

tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate Raw materials

tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate Preparation Products

tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate Suppliers

Amadis Chemical Company Limited
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(CAS:928653-80-9)tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate
Order Number:A859961
Stock Status:in Stock
Quantity:5.0g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:21
Price ($):214.0

tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate Related Literature

928653-80-9 (tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:928653-80-9)tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate
A859961
Purity:99%
Quantity:5.0g
Price ($):214.0
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