structure of 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)aniline

2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)aniline

CAS No.: 1000339-10-5
M. Wt: 249.11400
M. Fa: C13H20BNO3
InChI Key: SCONHACZFQZWPB-UHFFFAOYSA-N
Appearance: Brown Liquid

Names and Identifiers of 1000339-10-5

CAS Number

1000339-10-5

MDL Number

MFCD16996341

IUPAC Name

2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

InChI

InChI=1S/C13H20BNO3/c1-12(2)13(3,4)18-14(17-12)9-6-7-11(16-5)10(15)8-9/h6-8H,15H2,1-5H3

InChIKey

SCONHACZFQZWPB-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 1000339-10-5

Boiling Point

376.3±32.0°C at 760 mmHg

Exact Mass

249.15400

LogP

2.15780

Molecular Formula

C13H20BNO3

Molecular Weight

249.11400

PSA

53.71000

Storage condition

under inert gas (nitrogen or Argon) at 2–8 °C

Safety Information of 1000339-10-5

Pictograms

Signal Word

 Warning

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

Applications of 1000339-10-5

The applications of 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)aniline span various fields:

  • Organic Synthesis: It serves as an important intermediate for synthesizing more complex organic molecules.
  • Materials Science: The compound has been utilized in developing novel copolymers with specific optical and electrochemical properties.
  • Pharmaceutical Chemistry: Its derivatives may play roles in drug design and development due to their structural characteristics.

Interaction Studies of 1000339-10-5

Interaction studies involving 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)aniline focus on its reactivity with various substrates in synthetic pathways. The moisture sensitivity of this compound can affect its stability and reactivity; therefore, understanding its interactions under different environmental conditions is crucial for optimizing its use in

Biological Activity of 1000339-10-5

While specific biological activities of 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)aniline are not extensively documented, similar compounds have shown potential pharmacological effects. For instance, derivatives containing boron have been explored for their roles in medicinal chemistry, particularly in the development of cholinergic drugs that target the cholinergic system. The unique structural features of this compound may influence its interaction with biological systems and its potential as a therapeutic agent.

Physical sample testing spectrum (NMR) of 1000339-10-5

Physical sample testing spectrum (NMR) of 1000339-10-5

Retrosynthesis analysis of 1000339-10-5

  • Route#1

    Cas:6358-77-6
    Cas:73183-34-3
    Cas:1000339-10-5