structure of 2-(Chroman-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(Chroman-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS No.: 1002727-88-9
M. Wt: 260.136
M. Fa: C15H21BO3
InChI Key: NDSHAELUPJMEBM-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1002727-88-9

CAS Number

1002727-88-9

EC Number

805-123-0

MDL Number

MFCD12028565

IUPAC Name

2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI

InChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)12-7-8-13-11(10-12)6-5-9-17-13/h7-8,10H,5-6,9H2,1-4H3

InChIKey

NDSHAELUPJMEBM-UHFFFAOYSA-N

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OCCC3

UNSPSC Code

12352100

Physical and chemical properties of 1002727-88-9

Boiling Point

373.5±31.0 °C at 760 mmHg

Density

1.1±0.1 g/cm3

Exact Mass

260.158386

Flash Point

179.7±24.8 °C

Index of Refraction

1.519

LogP

2.31080

Molecular Formula

C15H21BO3

Molecular Weight

260.136

PSA

27.69000

Storage condition

2~8℃

Vapour Pressure

0.0±0.8 mmHg at 25°C

Safety Information of 1002727-88-9

Pictograms

Signal Word

 Warning

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

Applications of 1002727-88-9

The primary applications of 2-(Chroman-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane include:

  • Organic Synthesis: Used as a reagent in various coupling reactions.
  • Material Science: Potential use in developing new materials with specific electronic or optical properties.
  • Pharmaceutical Chemistry: Investigated for potential therapeutic applications due to its unique structural features.

Interaction Studies of 1002727-88-9

Interaction studies involving 2-(Chroman-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane focus on its reactivity with other organic molecules and its behavior in biological systems. Research indicates that compounds with similar structures can interact with enzymes or receptors due to their ability to form transient complexes through boron coordination chemistry. Such interactions may lead to novel biological activities or enhance existing pharmacological profiles.

Physical sample testing spectrum (NMR) of 1002727-88-9

Physical sample testing spectrum (NMR) of 1002727-88-9

Retrosynthesis analysis of 1002727-88-9

  • Route#1

    Cas:3875-78-3
    Cas:73183-34-3
    Cas:1002727-88-9

  • Route#2

    Cas:67856-45-5
    Cas:73183-34-3
    Cas:1002727-88-9

  • Route#3

    Cas:493-08-3
    Cas:73183-34-3
    Cas:1002727-88-9