structure of (E)-3-(2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acrylic acid

(E)-3-(2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acrylic acid

CAS No.: 1001200-58-3
M. Wt: 292.11
M. Fa: C15H18BFO4
InChI Key: KFQQHYOJHKHFFB-VMPITWQZSA-N

Names and Identifiers of 1001200-58-3

CAS Number

1001200-58-3

MDL Number

MFCD22493999

IUPAC Name

(2E)-3-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enoic acid

InChI

InChI=1S/C15H18BFO4/c1-14(2)15(3,4)21-16(20-14)11-6-7-12(17)10(9-11)5-8-13(18)19/h5-9H,1-4H3,(H,18,19)/b8-5+

InChIKey

KFQQHYOJHKHFFB-VMPITWQZSA-N

Canonical SMILES

CC1(C)OB(C2=CC=C(F)C(/C=C/C(=O)O)=C2)OC1(C)C

UNSPSC Code

12352100

Physical and chemical properties of 1001200-58-3

H Bond Acceptors

4

H Bond Donors

1

LogP

4.3944

Molecular Formula

C15H18BFO4

Molecular Weight

292.11

Safety Information of 1001200-58-3

Pictograms

Signal Word

 Warning

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

Applications of 1001200-58-3

The applications of 2-Propenoic acid, 3-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, (2e)- include:

  • Medicinal Chemistry: As a potential lead compound for developing new drugs targeting various diseases due to its unique structural features.
  • Material Science: Utilized in polymer chemistry for creating functionalized polymers with specific properties.

The compound's ability to engage in diverse

Interaction Studies of 1001200-58-3

Studies involving similar compounds suggest that interactions with biological molecules often depend on the presence of boron and fluorine. These elements can enhance binding affinity to enzymes or receptors by forming stable complexes or altering metabolic pathways. Further research is necessary to elucidate specific interactions for this compound.