structure of Tert-butyl (1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropyl)carbamate

Tert-butyl (1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropyl)carbamate

CAS No.: 1004294-78-3
M. Wt: 359.27
M. Fa: C20H30BNO4
InChI Key: LJHCQZRGLWDXOP-UHFFFAOYSA-N
Appearance: White To Off-White Solid

Names and Identifiers of 1004294-78-3

CAS Number

1004294-78-3

EC Number

883-692-4

MDL Number

MFCD32185347

IUPAC Name

tert-butyl N-[1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]carbamate

InChI

InChI=1S/C20H30BNO4/c1-17(2,3)24-16(23)22-20(11-12-20)14-9-8-10-15(13-14)21-25-18(4,5)19(6,7)26-21/h8-10,13H,11-12H2,1-7H3,(H,22,23)

InChIKey

LJHCQZRGLWDXOP-UHFFFAOYSA-N

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3(CC3)NC(=O)OC(C)(C)C

UNSPSC Code

12352100

Physical and chemical properties of 1004294-78-3

Boiling Point

481.8±34.0 °C(Predicted)

Density

1.09±0.1 g/cm3(Predicted)

Exact Mass

359.226776

Flash Point

245.2±25.7 °C

Index of Refraction

1.523

Molecular Formula

C20H30BNO4

Molecular Weight

359.27

Storage condition

Sealed in dry,2-8°C

Vapour Pressure

0.0±1.2 mmHg at 25°C

Safety Information of 1004294-78-3

Pictograms

Signal Word

 Warning

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

Applications of 1004294-78-3

This compound has potential applications in various fields:

  • Medicinal Chemistry: It may serve as a lead compound for developing new drugs targeting specific biological pathways.
  • Organic Synthesis: Its unique structure makes it a valuable intermediate in synthesizing more complex organic molecules.
  • Materials Science: The incorporation of boron into polymers or other materials could enhance properties such as thermal stability or mechanical strength.

Interaction Studies of 1004294-78-3

Interaction studies are crucial for understanding how tert-butyl (1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropyl)carbamate interacts with biological targets. These studies often focus on:

  • Binding Affinity: Evaluating how strongly the compound binds to specific enzymes or receptors.
  • Mechanism of Action: Investigating how the compound affects biochemical pathways or cellular processes.

Preliminary data suggest that compounds with similar structures may exhibit significant interactions with neurotransmitter systems or enzymes involved in metabolic processes.

Biological Activity of 1004294-78-3

Tert-butyl (1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropyl)carbamate exhibits potential biological activity that warrants investigation. Preliminary studies suggest that compounds with similar structures may interact with enzymes or receptors involved in various biochemical pathways. The unique combination of the cyclopropyl and boron-containing groups could enhance its binding affinity to specific biological targets, making it a candidate for further pharmacological studies.

Physical sample testing spectrum (NMR) of 1004294-78-3

Physical sample testing spectrum (NMR) of 1004294-78-3