structure of 1,2,3,9-Tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one

1,2,3,9-Tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one

CAS No.: 99614-64-9
M. Wt: 211.259
M. Fa: C14H13NO
InChI Key: AGQJDIDJKSFVTC-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 99614-64-9

CAS Number

99614-64-9

EC Number

641-930-2

IUPAC Name

9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one

InChI

InChI=1S/C14H13NO/c1-9-7-8-12-13(14(9)16)10-5-3-4-6-11(10)15(12)2/h3-6H,1,7-8H2,2H3

InChIKey

AGQJDIDJKSFVTC-UHFFFAOYSA-N

Canonical SMILES

CN1C2=C(C3=CC=CC=C31)C(=O)C(=C)CC2

UNII

098F00IT8F

Physical and chemical properties of 99614-64-9

Boiling Point

393.6±34.0 °C at 760 mmHg

BRN

7920329

Density

1.2±0.1 g/cm3

Exact Mass

211.099716

Flash Point

191.8±25.7 °C

Index of Refraction

1.633

LogP

3.02

Molecular Formula

C14H13NO

Molecular Weight

211.259

PSA

22.00000

Storage condition

2-8°C

Vapour Pressure

0.0±0.9 mmHg at 25°C

Safety Information of 99614-64-9

Pictograms

Signal Word

Danger

Safety Data Sheet

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

Applications of 99614-64-9

1,2,3,9-Tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one finds applications in various fields:

  • Pharmaceuticals: It is investigated for its potential therapeutic effects in treating cancer and neurodegenerative diseases.
  • Chemical Research: Used as a reference compound in studies evaluating similar chemical structures.

Interaction Studies of 99614-64-9

Interaction studies of 1,2,3,9-tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one have focused on its binding affinity to specific biological targets. Preliminary data suggest that it may interact with receptors involved in neurotransmission and cell signaling pathways. Further research is required to elucidate its mechanism of action and potential side effects.

Biological Activity of 99614-64-9

Research indicates that 1,2,3,9-tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one exhibits notable biological activities. It has been studied for its potential as an anti-cancer agent and may possess neuroprotective properties. Its interaction with various biological targets suggests a role in modulating pathways relevant to cell survival and apoptosis.

Physical sample testing spectrum (NMR) of 99614-64-9

Physical sample testing spectrum (NMR) of 99614-64-9

Retrosynthesis analysis of 99614-64-9

  • Route#1

    Cas:110-91-8
    Cas:27387-31-1
    Cas:99614-64-9
  • Route#2

    Cas:102-53-4
    Cas:27387-31-1
    Cas:99614-64-9
  • Route#3

    Cas:27387-31-1
    Cas:880-09-1
    Cas:99614-64-9