structure of 5-Bromo-1-methylindoline

5-Bromo-1-methylindoline

CAS No.: 99848-78-9
M. Wt: 212.086
M. Fa: C9H10BrN
InChI Key: YIRSVRZXIXHOSN-UHFFFAOYSA-N
Appearance: Yellow/Orange Liquid

Names and Identifiers of 5-Bromo-1-methylindoline

CAS Number

99848-78-9

MDL Number

MFCD09817498

IUPAC Name

5-bromo-1-methyl-2,3-dihydroindole

InChI

InChI=1S/C9H10BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-3,6H,4-5H2,1H3

InChIKey

YIRSVRZXIXHOSN-UHFFFAOYSA-N

Canonical SMILES

CN1CCC2=CC(Br)=CC=C21

UNSPSC Code

12352100

Physical and chemical properties of 5-Bromo-1-methylindoline

Acidity coefficient

5.30±0.20(Predicted)

Boiling Point

296.9±33.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

210.999649

Flash Point

133.3±25.4 °C

Index of Refraction

1.599

LogP

2.94

Molecular Formula

C9H10BrN

Molecular Weight

212.086

PSA

3.24000

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 5-Bromo-1-methylindoline

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 5-Bromo-1-methylindoline

5-Bromo-1-methylindoline has several applications, particularly in:

  • Pharmaceutical Development: Due to its biological activity, it is a candidate for developing new anticancer agents.
  • Organic Synthesis: It serves as an intermediate for synthesizing more complex organic molecules.
  • Material Science: Its unique properties may also be explored in the development of novel materials with specific electronic or optical characteristics.

Interaction Studies of 5-Bromo-1-methylindoline

Studies on the interactions of 5-bromo-1-methylindoline with biological targets have revealed its potential mechanisms of action. For example, certain derivatives have been shown to induce apoptosis in cancer cells through mitochondrial pathways, suggesting that they may disrupt cellular processes critical for cancer cell survival. Further research into its interactions with specific proteins and enzymes could provide insights into its therapeutic potential.

Biological Activity of 5-Bromo-1-methylindoline

Research indicates that 5-bromo-1-methylindoline and its derivatives exhibit significant biological activities. Notably, compounds with brominated indole structures have been studied for their antiproliferative effects against various cancer cell lines. For instance, derivatives of 5-bromo-indole have shown comparable or superior activity compared to established chemotherapeutics like cisplatin, while exhibiting lower toxicity to normal cells. This suggests potential as drug candidates in cancer therapy.

Physical sample testing spectrum (NMR) of 5-Bromo-1-methylindoline

Physical sample testing spectrum (NMR) of 5-Bromo-1-methylindoline

Retrosynthesis analysis of 5-Bromo-1-methylindoline

  • Route#1

    Cas:64180-07-0
    Cas:99848-78-9
  • Route#2

    Cas:824-21-5
    Cas:99848-78-9
  • Route#3

    Cas:106883-07-2
    Cas:99848-78-9