68755-31-7

Basic information

• Product Name: 5,6-DICHLORO (DIFLUORO)-INDANONE
• Synonyms: 5,6-DICHLORO (DIFLUORO)-INDANONE;5,6-dichloro-indanone;5,6-dichloro-2,2-difluoro-2,3-dihydro-1H-inden-1-one;1H-Inden-1-one, 5,6-dichloro-2,3-dihydro-
• CAS NO: 68755-31-7
• Molecular Formula: C₉H₆Cl₂O
• Molecular Weight: 237.0302664
• Mol File: 68755-31-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 331°C at 760 mmHg
• Flash Point: 139.5°C
• Appearance: /
• Density: 1.447g/cm³
• Vapor Pressure: 0.00016mmHg at 25°C
• Refractive Index: 1.612
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 5,6-DICHLORO (DIFLUORO)-INDANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 5,6-DICHLORO (DIFLUORO)-INDANONE(68755-31-7)
• EPA Substance Registry System: 5,6-DICHLORO (DIFLUORO)-INDANONE(68755-31-7)

Safety Data

• Hazardous Substances Data: 68755-31-7(Hazardous Substances Data)

Usage

General Description

5,6-Dichloro (difluoro)-indanone is a chemical compound that consists of a six-membered carbon ring with two chlorine atoms and two fluorine atoms attached at specific positions. It is commonly used in the synthesis of pharmaceuticals and agrochemicals as a building block for more complex molecules. 5,6-DICHLORO (DIFLUORO)-INDANONE has been found to have potential biological and pharmacological activities, making it a valuable intermediate in the development of new drugs and chemical products. Its unique structure and properties make it a versatile and important chemical in various industries. Proper handling and safety precautions should be taken when working with this compound due to its potential hazards.

InChI:InChI=1/C9H6Cl2O/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h3-4H,1-2H2

Upstream product

• 25173-68-6 3(3,4-dichlorophenyl)propanoic acid 
• 90273-67-9 3-(3,4-dichlorophenyl)propionic acid chloride 
• 68755-30-6 6,7-dichloro-1-indanone 

Downstream Products

• 17556-22-8 6,7-Dichlor-tetralon-(2) 
• 156484-74-1 2-bromo-5,6-dichloro-1-indanone 
• 130569-31-2 5,6-dichloro-2,3-dihydro-1H-inden-1-ol 

Relevant articles and documents

Discovery and Optimization of 1-Phenoxy-2-aminoindanes as Potent, Selective, and Orally Bioavailable Inhibitors of the Na+/H+ Exchanger Type 3 (NHE3)

The design, synthesis, and structure-activity relationship of 1-phenoxy-2-aminoindanes as inhibitors of the Na+/H+ exchanger type 3 (NHE3) are described based on a hit from high-throughput screening (HTS). The chemical optimization resulted in the discovery of potent, selective, and orally bioavailable NHE3 inhibitors with 13d as best compound, showing high in vitro permeability and lacking CYP2D6 inhibition as main optimization parameters. Aligning 1-phenoxy-2-aminoindanes onto the X-ray structure of 13d then provided 3D-QSAR models for NHE3 inhibition capturing guidelines for optimization. These models showed good correlation coefficients and allowed for activity estimation. In silico ADMET models for Caco-2 permeability and CYP2D6 inhibition were also successfully applied for this series. Moreover, docking into the CYP2D6 X-ray structure provided a reliable alignment for 3D-QSAR models. Finally 13d, renamed as SAR197, was characterized in vitro and by in vivo pharmacokinetic (PK) and pharmacological studies to unveil its potential for reduction of obstructive sleep apneas.

Derivatives of 5H, 10H-imidazo[1, 2-a]indeno[1,2-e]pyrazin-4-one, preparation thereof and medicaments containing them

Compounds having the formula (I) wherein R and R 1, similar or different, represent a hydrogen or halogen atom or a radical alkyl, alkoxy, amino, acylamino, phenylureido, --N CH--N(R 2)R 3, nitro, imidazolyl, phenyl, SO 3 H or cyano; R 2 and R 3 which may