342638-03-3

Basic information

• Product Name: 5-(TRIFLUOROMETHYL)ISOINDOLINE
• Synonyms: 5-(TRIFLUOROMETHYL)ISOINDOLINE;5-(trifluoroMethyl)-2,3-dihydro-1H-isoindole;5-TrifluoroMethyl-2,3-dihydro-1H-isoindole.HCl
• CAS NO: 342638-03-3
• Molecular Formula: C₉H₈F₃N
• Molecular Weight: 187.16
• Mol File: 342638-03-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 196.6°C at 760 mmHg
• Flash Point: 72.7°C
• Appearance: /
• Density: 1.264g/cm³
• Vapor Pressure: 0.395mmHg at 25°C
• Refractive Index: 1.481
• PKA: 7.97±0.20(Predicted)
• CAS DataBase Reference: 5-(TRIFLUOROMETHYL)ISOINDOLINE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(TRIFLUOROMETHYL)ISOINDOLINE(342638-03-3)
• EPA Substance Registry System: 5-(TRIFLUOROMETHYL)ISOINDOLINE(342638-03-3)

Safety Data

• Hazardous Substances Data: 342638-03-3(Hazardous Substances Data)

Usage

General Description

5-(Trifluoromethyl)isoindoline is a chemical compound with the molecular formula C9H6F3N. It is a white solid substance that is used as a building block in the synthesis of various pharmaceuticals, agrochemicals, and materials. 5-(Trifluoromethyl)isoindoline is known for its high reactivity and versatile nature, making it a valuable component in chemical research and development. It is commonly used in the production of organic compounds due to its strong electron-withdrawing properties and stable structure. Additionally, it has been found to exhibit potential biological activity, showing promise as a potential drug candidate for various diseases.

InChI:InChI=1/C9H8F3N/c10-9(11,12)8-2-1-6-4-13-5-7(6)3-8/h1-3,13H,4-5H2

Upstream product

• 342638-02-2 2-(toluene-4-sulfonyl)-5-trifluoromethyl-2,3-dihydro-1H-isoindole 
• 26238-14-2 5-trifluoromethylbenzofuran-1,3-dione 
• 1997-41-7 5-trifluoromethylphthalimide 
• 127168-85-8 2-(p-toluenesulfonyl)-5-bromoisoindoline 

Downstream Products

• 437651-92-8 {4-[2-(5-trifluoromethyl-1,3-dihydro-isoindol-2-yl)-ethyl]-cyclohexyl}-carbamic acid tert-butyl ester 
• 1219623-64-9 1-{2-oxo-2-[5-(trifluoromethyl)-1,3-dihydro-2H-isoindol-2-yl]ethyl}-3,3-diphenylpyrrolidin-2-one 
• 437652-08-9 4-[2-(5-trifluoromethyl-1,3-dihydro-isoindol-2-yl)-ethyl]-cyclohexylamine 

Relevant articles and documents

Inhibitors of dipeptidyl peptidase 8 and dipeptidyl peptidase 9. Part 2: Isoindoline containing inhibitors

To obtain selective and potent inhibitors of dipeptidyl peptidases 8 and 9, we synthesized a series of substituted isoindolines as modified analogs of allo-Ile-isoindoline, the reference DPP8/9 inhibitor. The influence of phenyl substituents and different P2 residues on the inhibitors' affinity toward other DPPs and more specifically, their potential to discriminate between DPP8 and DPP9 will be discussed. Within this series compound 8j was shown to be a potent and selective inhibitor of DPP8/9 with low activity toward DPP II.

COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV

The invention aims to provide a dipeptidyl peptidase IV inhibitor which is satisfactory in respect of activity, stability and safety and has an excellent action as a pharmaceutical agent. The invention is directed to a compound represented by the following general formula or a pharmaceutically acceptable salt thereof: wherein R1 and R2 each represents hydrogen, an optionally substituted C1-6 alkyl group, or -COOR5 whereupon R5 represents hydrogen or an optionally substituted C1-6 alkyl group, or R1 and R2, together with a carbon atom to which they are bound, represent a 3- to 6-membered cycloalkyl group, R3 represents hydrogen or an optionally substituted C6-10 aryl group, R4 represents a hydrogen or a cyano group, D represents -CONR6-, -CO- or -NR6CO-, R6 represents hydrogen or an optionally substituted C1-6 alkyl group, E represents -(CH2)m- whereupon m is an integer of 1 to 3, -CH2OCH2-, or -SCH2-, n is an integer of 0 to 3, and A represents an optionally substituted bicyclic heterocyclic group or bicyclic hydrocarbon group.