1,1-Dimethylethyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

CAS Registry Number®

942070-54-4
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CAS Name

1,1-Dimethylethyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

Molecular Formula

C24H36B2N2O6

Molecular Mass

470.17

Cite this Page

1,1-Dimethylethyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=942070-54-4 (retrieved 2024-05-06) (CAS RN: 942070-54-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    177-178 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H36B2N2O6/c1-20(2,3)30-19(29)28-14-17(26-33-23(8,9)24(10,11)34-26)16-12-15(13-27-18(16)28)25-31-21(4,5)22(6,7)32-25/h12-14H,1-11H3

InChIKey

InChIKey=FPUMXGFVYQHELH-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1C=2C(C(=C1)B3OC(C)(C)C(C)(C)O3)=CC(=CN2)B4OC(C)(C)C(C)(C)O4

Canonical SMILES

O=C(OC(C)(C)C)N1C=C(B2OC(C)(C)C(O2)(C)C)C=3C=C(C=NC31)B4OC(C)(C)C(O4)(C)C

Other Names for this Substance

  • 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

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