structure of 1,3,2-Dioxaborolane, 2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-

1,3,2-Dioxaborolane, 2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-

CAS No.: 1000994-94-4
M. Wt: 268.10700
M. Fa: C14H19BF2O2
InChI Key: ZEIACFZGYHZGTL-UHFFFAOYSA-N
Appearance: Off white solid

Names and Identifiers of 1000994-94-4

CAS Number

1000994-94-4

EC Number

855-054-5

MDL Number

MFCD13186728

IUPAC Name

2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI

InChI=1S/C14H19BF2O2/c1-12(2)13(3,4)19-15(18-12)11-8-6-10(7-9-11)14(5,16)17/h6-9H,1-5H3

InChIKey

ZEIACFZGYHZGTL-UHFFFAOYSA-N

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)(F)F

UNSPSC Code

12352100

Physical and chemical properties of 1000994-94-4

Density

1.08±0.1 g/cm3 (20 ºC 760 Torr)

Exact Mass

268.14500

LogP

3.09750

Molecular Formula

C14H19BF2O2

Molecular Weight

268.10700

PSA

18.46000

Storage condition

2-8°C

Safety Information of 1000994-94-4

Pictograms

Signal Word

 Warning

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

Applications of 1000994-94-4

1,3,2-Dioxaborolanes find applications across various fields:

  • Organic synthesis: As intermediates in the preparation of complex organic molecules.
  • Pharmaceuticals: Their unique properties make them valuable in drug discovery and development processes.
  • Material science: They can be used in creating polymers and other materials with specific properties.

Interaction Studies of 1000994-94-4

Interaction studies involving 1,3,2-dioxaborolanes often focus on their reactivity with nucleophiles and electrophiles. These interactions are crucial for understanding their role in synthetic pathways and potential biological effects. For instance:

  • Reactivity with amines: Dioxaborolanes can react with amines to form stable boron-nitrogen bonds.
  • Coordination chemistry: Their ability to coordinate with metal ions opens avenues for catalysis and material applications.

Biological Activity of 1000994-94-4

The biological activity of 1,3,2-dioxaborolanes is an area of growing interest. Some studies suggest that derivatives of dioxaborolanes can exhibit significant biological properties, such as:

  • Antitumor activity: Certain substituted dioxaborolanes have shown potential in inhibiting cancer cell growth.
  • Antimicrobial properties: Their ability to interact with biological membranes may confer antimicrobial effects.

Retrosynthesis analysis of 1000994-94-4

  • Route#1

    Cas:1000994-95-5
    Cas:73183-34-3
    Cas:1000994-94-4