structure of 2-(4-(Benzyloxy)-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-(Benzyloxy)-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS No.: 1000796-87-1
M. Wt: 340.22100
M. Fa: C20H25BO4
InChI Key: AZHNNODKZBIADS-UHFFFAOYSA-N
Appearance: White Powder

Names and Identifiers of 1000796-87-1

CAS Number

1000796-87-1

MDL Number

MFCD07367089

IUPAC Name

2-(3-methoxy-4-phenylmethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI

InChI=1S/C20H25BO4/c1-19(2)20(3,4)25-21(24-19)16-11-12-17(18(13-16)22-5)23-14-15-9-7-6-8-10-15/h6-13H,14H2,1-5H3

InChIKey

AZHNNODKZBIADS-UHFFFAOYSA-N

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

UNSPSC Code

12352100

Physical and chemical properties of 1000796-87-1

Boiling Point

455.1±40.0 °C(Predicted)

Density

1.10±0.1 g/cm3(Predicted)

Exact Mass

340.18500

LogP

3.57340

Molecular Formula

C20H25BO4

Molecular Weight

340.22100

PSA

36.92000

Storage condition

2-8°C

Safety Information of 1000796-87-1

Pictograms

Signal Word

 Warning

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

Applications of 1000796-87-1

This compound finds applications primarily in:

  • Organic Synthesis: As a building block in the synthesis of more complex molecules.
  • Pharmaceutical Research: It serves as an intermediate in the development of potential therapeutic agents.
  • Material Science: Its properties may be exploited in creating functional materials or sensors.

Interaction Studies of 1000796-87-1

Interaction studies involving 4-(benzyloxy)-3-methoxyphenylboronic acid, pinacol ester often focus on its ability to interact with various biological macromolecules. The compound's boron atom can form reversible covalent bonds with diols and other nucleophiles, which is critical for understanding its reactivity and potential biological implications.

Physical sample testing spectrum (NMR) of 1000796-87-1

Physical sample testing spectrum (NMR) of 1000796-87-1