166947-10-0

Basic information

• Product Name: 3-(3,4-DIFLUORO-PHENYL)-PROPIONALDEHYDE
• Synonyms: 3-(3,4-DIFLUORO-PHENYL)-PROPIONALDEHYDE;Benzenepropanal, 3,4-difluoro-;3-(3,4-difluorophenyl)propanal
• CAS NO: 166947-10-0
• Molecular Formula: C₉H₈F₂O
• Molecular Weight: 170.1560264
• Mol File: 166947-10-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 208.6°C at 760 mmHg
• Flash Point: 77.9°C
• Appearance: /
• Density: 1.177g/cm³
• Vapor Pressure: 0.212mmHg at 25°C
• Refractive Index: 1.474
• CAS DataBase Reference: 3-(3,4-DIFLUORO-PHENYL)-PROPIONALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(3,4-DIFLUORO-PHENYL)-PROPIONALDEHYDE(166947-10-0)
• EPA Substance Registry System: 3-(3,4-DIFLUORO-PHENYL)-PROPIONALDEHYDE(166947-10-0)

Safety Data

• Hazardous Substances Data: 166947-10-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H8F2O/c10-8-4-3-7(2-1-5-12)6-9(8)11/h3-6H,1-2H2

Upstream product

• 161712-75-0 3-(3,4-difluorophenyl)-propanoic acid 
• 301185-99-9 3,4-difluorobenzenepropanol 
• 64248-58-4 1,2-difluoro-4-iodo-benzene 
• 107-18-6 allyl alcohol 

Downstream Products

• 937617-31-7 5-(3,4-difluorobenzyl)thiazol-2-amine 

Relevant articles and documents

Synthesis and inhibitory studies of phosphonic acid analogues of homophenylalanine and phenylalanine towards alanyl aminopeptidases

A library of novel phosphonic acid analogues of homophenylalanine and phenylalanine, containing fluorine and bromine atoms in the phenyl ring, have been synthesized. Their inhibitory properties against two important alanine aminopeptidases, of human (hAPN, CD13) and porcine (pAPN) origin, were evaluated. Enzymatic studies and comparison with literature data indicated the higher inhibitory potential of the homophenylalanine over phenylalanine derivatives towards both enzymes. Their inhibition constants were in the submicromolar range for hAPN and the micromolar range for pAPN, with 1-amino-3-(3-fluorophenyl) propylphosphonic acid (compound 15c) being one of the best low-molecular inhibitors of both enzymes. To the best of our knowledge, P1 homophenylalanine analogues are the most active inhibitors of the APN among phosphonic and phosphinic derivatives described in the literature. Therefore, they constitute interesting building blocks for the further design of chemically more complex inhibitors. Based on molecular modeling simulations and SAR (structure-activity relationship) analysis, the optimal architecture of enzyme-inhibitor complexes for hAPN and pAPN were determined.

5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES

The invention relates to 5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine derivatives of formula (I),wherein X represents CH2 or O; R1 represents a phenyl group, which group is independently mono-, di-, or tri-substituted wherein the substituents are independently selected from the group consisting of (C1-4)alkyl, (C1-4)alkoxy, halogen, cyano, trifluoromethoxy and trifluoromethyl; R2 represents (C1-4)alkyl, (C1-4)alkoxy, (C2-4)alkenyl, halogen, cyano, hydroxymethyl, trifluoromethyl, C(O)NR5R6 or cyclopropyl; R3 represents (C1-4)alkyl, (C1-4)alkoxy-methyl or halogen; R4 represents (C1-4)alkyl; R5 represents hydrogen or (C1-4)alkyl; and R6 represents hydrogen or (C1-4)alkyl. The invention also relates to pharmaceutically acceptable salts of such compounds; and to the use of such compounds as medicaments; especially as orexin receptor antagonists.