structure of (1-(tert-Butoxycarbonyl)-7-fluoro-1H-indol-2-yl)boronic acid

(1-(tert-Butoxycarbonyl)-7-fluoro-1H-indol-2-yl)boronic acid

CAS No.: 1000068-65-4
M. Wt: 279.07200
M. Fa: C13H15BFNO4
InChI Key: AHFAZIPJGLAFSE-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1000068-65-4

CAS Number

1000068-65-4

EC Number

807-408-5

MDL Number

MFCD11109422

IUPAC Name

[7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid

InChI

InChI=1S/C13H15BFNO4/c1-13(2,3)20-12(17)16-10(14(18)19)7-8-5-4-6-9(15)11(8)16/h4-7,18-19H,1-3H3

InChIKey

AHFAZIPJGLAFSE-UHFFFAOYSA-N

Canonical SMILES

B(C1=CC2=C(N1C(=O)OC(C)(C)C)C(=CC=C2)F)(O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000068-65-4

Exact Mass

279.10800

LogP

1.24340

Molecular Formula

C13H15BFNO4

Molecular Weight

279.07200

PSA

71.69000

Storage condition

2-8°C

Safety Information of 1000068-65-4

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000068-65-4

(1-(tert-Butoxycarbonyl)-7-fluoro-1H-indol-2-yl)boronic acid finds applications primarily in:

  • Organic Synthesis: It is utilized in various organic transformations, particularly in the synthesis of complex molecules through cross-coupling reactions.
  • Medicinal Chemistry: Its structural properties make it a candidate for developing pharmaceutical compounds, especially those targeting specific biological pathways.

Interaction Studies of 1000068-65-4

Interaction studies on (1-(tert-Butoxycarbonyl)-7-fluoro-1H-indol-2-yl)boronic acid focus on its ability to form complexes with palladium catalysts during coupling reactions. These interactions are crucial for understanding its reactivity and potential applications in synthesizing biologically active compounds. Additionally, studies may explore its effects on cellular signaling pathways and its interactions with various biomolecules.