457-75-0

Basic information

• Product Name: Phenol, 4-fluoro-, propanoate
• CAS NO: 457-75-0
• Molecular Formula: C9H9FO2
• Molecular Weight: 168.168
• Mol File: 457-75-0.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Phenol, 4-fluoro-, propanoate(CAS DataBase Reference)
• NIST Chemistry Reference: Phenol, 4-fluoro-, propanoate(457-75-0)
• EPA Substance Registry System: Phenol, 4-fluoro-, propanoate(457-75-0)

Safety Data

• Hazardous Substances Data: 457-75-0(Hazardous Substances Data)

Upstream product

• 371-41-5 4-Fluorophenol 
• 79-03-8 propionyl chloride 
• 137-40-6 sodium proprionate 
• 123-62-6 propionic acid anhydride 

Downstream Products

• 443-09-4 1-(5-fluoro-2-hydroxyphenyl)propan-1-one 

Relevant articles and documents

ANTI-INFECTIVE AGENTS

The present invention relates to a novel class of chromene-2-carboxamide compounds inhibitors of general formula (I) wherein R1, R2, R3, R4, R5, R6, R7, R8 and X are as defined herein, to their use in medicine, and their use as anti-infective agents in particular, to compositions containing them, to processes for their preparation and to intermediates used in such processes.

The conformational properties of some phenyl esters. Molecular orbital and nuclear magnetic resonance studies

Extensive, geometry-optimized, STO-3G MO computations on phenyl formate imply a strongly nonplanar Z conformer (C=O bond cis to the phenyl group) at ambient temperatures.The internal barrier to rotation about the C(1)-O bond in this conformer is computed as V/kJ mol-1=(-5.17+/-0.27)sin2θ - (2.42+/-0.27)sin22θ, θ being zero for the planar conformer; the twofold is nearly twice as large as the fourfold component.The expectation value of θ is 58 deg at 300 K.The spin-spin coupling constants over six bonds between (13)C and (19)F nuclei in 4-fluorophenyl formate, acetate, propionate, and isobutyrate, as well as in the 2,6-dichloro-4-fluorophenyl acetate, are adduced as evidence for nonplanar conformers of these molecules.The magnitudes of these six-bond coupling constants are consistent with internal barriers to rotation about the C(1)-O bonds, which are similar in magnitude to those given by the computations on the Z conformer of phenyl formate.The energies of the planar and nonplanar E conformers, as well as the interconversion energies for EZ isomerization, are computed.Small amounts of the nonplanar E conformer are predicted at ambient temperatures.The (13)C chemical shifts and the one-bond (13)C, (19)F coupling constants are consistent, respectively, with only minor variations in the conformational behavior of the ester moieties caused by the fluorine substituent and by changes in the structures of these moieties themselves.