structure of 2-(Benzo[B]thiophen-4-YL)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(Benzo[B]thiophen-4-YL)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS No.: 1000160-75-7
M. Wt: 260.16000
M. Fa: C14H17BO2S
InChI Key: KQTHIDLDBILMSE-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 1000160-75-7

CAS Number

1000160-75-7

EC Number

866-625-3

MDL Number

MFCD13619876

IUPAC Name

2-(1-benzothiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI

InChI=1S/C14H17BO2S/c1-13(2)14(3,4)17-15(16-13)11-6-5-7-12-10(11)8-9-18-12/h5-9H,1-4H3

InChIKey

KQTHIDLDBILMSE-UHFFFAOYSA-N

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C3C=CSC3=CC=C2

UNSPSC Code

12352100

Physical and chemical properties of 1000160-75-7

Exact Mass

260.10400

H Bond Acceptors

2

H Bond Donors

0

LogP

3.20050

Molecular Formula

C14H17BO2S

Molecular Weight

260.16000

PSA

46.70000

Safety Information of 1000160-75-7

Pictograms

Signal Word

 Warning

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

Applications of 1000160-75-7

The compound has several notable applications:

  • Organic Synthesis: It serves as a versatile building block in organic chemistry for constructing complex molecules through cross-coupling reactions.
  • Materials Science: Due to its unique electronic properties, it may be used in the development of organic semiconductors and photovoltaic materials.
  • Pharmaceutical Research: Its structural features may contribute to drug discovery efforts targeting various biological pathways.

Interaction Studies of 1000160-75-7

Interaction studies involving 2-(Benzo[b]thiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane focus on its reactivity with other chemical species. These studies often explore:

  • Reactivity Profiles: Understanding how this compound interacts with nucleophiles and electrophiles can provide insights into its utility in synthetic applications.
  • Biological Interactions: Investigating potential interactions with biological targets may reveal its pharmacological potential and mechanisms of action.

Physical sample testing spectrum (NMR) of 1000160-75-7

Physical sample testing spectrum (NMR) of 1000160-75-7