structure of 1,4-Bis(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene

1,4-Bis(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene

CAS No.: 99770-93-1
M. Wt: 330.034
M. Fa: C18H28B2O4
InChI Key: UOJCDDLTVQJPGH-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 99770-93-1

CAS Number

99770-93-1

EC Number

691-283-5

MDL Number

MFCD08276852

IUPAC Name

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

InChI

InChI=1S/C18H28B2O4/c1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20/h9-12H,1-8H3

InChIKey

UOJCDDLTVQJPGH-UHFFFAOYSA-N

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)B3OC(C(O3)(C)C)(C)C

UNSPSC Code

12352100

Physical and chemical properties of 99770-93-1

Boiling Point

416.3±28.0 °C at 760 mmHg

Density

1.0±0.1 g/cm3

Exact Mass

330.217377

Flash Point

205.6±24.0 °C

Index of Refraction

1.490

LogP

2.28500

Melting Point

241-245ºC

Molecular Formula

C18H28B2O4

Molecular Weight

330.034

PSA

36.92000

Solubility

soluble in Toluene

Storage condition

Keep in dark place,Sealed in dry,Room Temperature

Vapour Pressure

0.0±0.9 mmHg at 25°C

Safety Information of 99770-93-1

Pictograms

Signal Word

 Warning

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

Applications of 99770-93-1

1,4-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene is primarily utilized in:

  • Organic Synthesis: As a key intermediate in the preparation of various organic compounds.
  • Pharmaceutical Development: Its role in cross-coupling reactions makes it valuable for synthesizing complex pharmaceuticals.
  • Material Science: It is used in developing functional materials due to its unique structural properties.

Interaction Studies of 99770-93-1

Interaction studies involving 1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene focus on its reactivity with different substrates during cross-coupling reactions. These studies often explore how variations in substituents on the benzene ring or modifications to the dioxaborolane moiety affect reaction efficiency and selectivity. Understanding these interactions is crucial for optimizing synthetic pathways in organic chemistry.

Physical sample testing spectrum (NMR) of 99770-93-1

Physical sample testing spectrum (NMR) of 99770-93-1

Retrosynthesis analysis of 99770-93-1

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  • Route#2

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  • Route#3

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