194490-17-0

Basic information

• Product Name: 6-CHLORO-3-CYANOINDOLE
• Synonyms: 6-CHLORO-3-CYANOINDOLE;6-CHLORO-1H-INDOLE-3-CARBONITRILE;1H-Indole-3-carbonitrile,6-chloro-
• CAS NO: 194490-17-0
• Molecular Formula: C9H5ClN2
• Molecular Weight: 176.6
• Product Categories: pharmacetical
• Mol File: 194490-17-0.mol

Chemical Properties

• Boiling Point: 383.8 °C at 760 mmHg
• Flash Point: 185.9 °C
• Appearance: /
• Density: 1.41 g/cm³
• Vapor Pressure: 4.28E-06mmHg at 25°C
• Refractive Index: 1.686
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 6-CHLORO-3-CYANOINDOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-CHLORO-3-CYANOINDOLE(194490-17-0)
• EPA Substance Registry System: 6-CHLORO-3-CYANOINDOLE(194490-17-0)

Safety Data

• Hazardous Substances Data: 194490-17-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research:
6-Chloro-3-cyanoindole is used as an intermediate in the production of various pharmaceuticals and agrochemicals. Its versatile reactivity and ability to undergo a variety of chemical reactions make it a valuable building block in the synthesis of complex organic molecules.
Used in Organic Synthesis:
6-Chloro-3-cyanoindole is used as a key component in the synthesis of complex organic molecules due to its ability to participate in various chemical reactions, making it a valuable asset in the field of organic synthesis.
Used in Biological Activities and Therapeutic Applications:
6-Chloro-3-cyanoindole has been studied for its potential biological activities and therapeutic applications, further enhancing its significance in the field of chemical and pharmaceutical research. Its potential applications in this area are currently under investigation, and future discoveries may lead to new uses in medicine and healthcare.

InChI:InChI=1/C9H5ClN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,12H

Upstream product

• 17422-33-2 6-chloroindole 
• 110-18-9 N,N,N,N,-tetramethylethylenediamine 
• 1144460-70-7 6-chloro-1H-indole-3-carbaldehyde oxime 
• 703-82-2 6-chloro-1H-indole-3-carbaldehyde 

Downstream Products

• 766557-02-2 6-chloro-1H-indole-3-carboxylic acid 

Relevant articles and documents

Copper-mediated C3-cyanation of indoles by the combination of amine and ammonium

A copper-promoted C3-cyanation of both the free N-H and N-protected indoles by N,N,N′,N′-tetramethyl-ethane-1,2-diamine (TMEDA) and ammonium is achieved. The iminium ion acts as the intermediate in this transformation, which is sequentially electrophilically attacked by indole and H2O followed by hydrolyzation to form the aldehyde. Then the reaction between the aldehyde and ammonium afforded nitriles. The reaction employs O2 as a clean oxidant with good efficiency and functional group tolerance. Thus, it represents a facile and safe procedure leading to 3-cyano indoles. The Royal Society of Chemistry 2014.

An investigation into the substituent effect of halogen atoms on the crystal structures of indole-3-carboxylic acid (ICA)

An investigation into the substituent effect of halogen atoms (F, Cl, Br) on the crystal structure of indole-3-carboxylic acid (ICA) was prepared in this work. The investigation was done through the aspect of crystal structure, intermolecular interactions and π...π stacking motifs with the assistance of infrared spectra, elemental analyses, NMR spectra, differential scanning calorimetry (DSC), thermogravimetric analyses (TGA) and hot stage microscopy (HSM) measurements. The results revealed that the different kinds of halogen atoms and the different substituted positions have a significant effect on the crystal structures, molecular π...π stacking motifs and the kinds of intermolecular interactions. We further correlated the melting points of the ICAs with the H-H, O-H and X-H (X = F, Cl, Br) interactions, and found a positive correlation between them.

NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME

The present invention relates to novel compounds having a xanthine oxidase inhibitory effect and an uricosuric effect and pharmaceutical compositions comprising the same as an active ingredient. That is, the present invention relates nitrogen-containing heterocyclic compounds represented by the following general formula (I): wherein Y1 represents N or C(R4) ; Y2 represents N or C(R5) ; R4 and R5 independently represent an alkyl group, a hydrogen atom etc. ; one of R1 and R2 represents an optionally substituted aryl group, an alkoxygroup or an optionally substituted heterocyclic group; the other of R1 and R2 represents a haloalkyl group, a cyanogroup, ahalogenatometc.; and R3 represents a 5-tetrazolyl group or a carboxy group, and pharmaceutically acceptable salts thereof, and pharmaceutical compositions comprising the same as an active ingredient.

METHODS FOR TREATING HEPATITIS C

In accordance with the present invention, compounds that inhibit viral replication, preferably Hepatitis C Virus (HCV) replication, have been identified, and methods for their use provided. In one aspect of the invention, compounds useful in the treatment