199461-14-8

Basic information

• Product Name: 4-(4-FLUOROANILINO)-4-OXOBUTANOIC ACID
• Synonyms: 4-(4-FLUOROANILINO)-4-OXOBUTANOIC ACID;3-[(4-FLUOROPHENYL)CARBAMOYL]PROPANOIC ACID;AKOS BBB/320;AKOS BBS-00008637;OTAVA-BB 0115030465
• CAS NO: 199461-14-8
• Molecular Formula: C10H10FNO3
• Molecular Weight: 211.1897032
• Mol File: 199461-14-8.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-(4-FLUOROANILINO)-4-OXOBUTANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-FLUOROANILINO)-4-OXOBUTANOIC ACID(199461-14-8)
• EPA Substance Registry System: 4-(4-FLUOROANILINO)-4-OXOBUTANOIC ACID(199461-14-8)

Safety Data

• Hazardous Substances Data: 199461-14-8(Hazardous Substances Data)

Upstream product

• 371-40-4 4-fluoroaniline 
• 108-30-5 succinic acid anhydride 

Relevant articles and documents

Single crystal inspection, Hirshfeld surface investigation and DFT study of a novel derivative of 4-fluoroaniline: 4-((4-fluorophenyl)amino)-4-oxobutanoic acid (BFAOB)

The title compound, C10H10FNO3, also known as [4-((4-fluorophenyl)amino)-4-oxobutanoic acid] (BFAOB), is synthesized efficiently, and its structure is confirmed by the SC-XRD technique, which indicates that two crystallographically different molecules are present in the asymmetric unit. The fluorobenzene ring is oriented at a dihedral angle of 76.09 (9)° and 23.7 (2)° with respect to acetamide moiety in the first and second types of molecule, respectively. A molecular overlay plot is employed to explore the difference between two types of molecules. Strong hydrogen bonding of type N–H…O, O–H…O and comparatively weak hydrogen bonding of type C-H…O stabilize the crystal packing. The titled compound is also characterized by powder XRD. Hirshfeld surface inspection is carried out to explore the non-covalent interactions that are responsible for crystal packing. DFT calculations demonstrate the high stability of BFAOB crystal compound.

Radical-mediated dehydrative preparation of cyclic imides using (NH4)2S2O8-DMSO: Application to the synthesis of vernakalant

Ammonium persulfate-dimethyl sulfoxide (APS-DMSO) has been developed as an efficient and new dehydrating reagent for a convenient one-pot process for the synthesis of miscellaneous cyclic imides in high yields starting from readily available primary amines and cyclic anhydrides. A plausible radical mechanism involving DMSO has been proposed. The application of this facile one-pot imide forming process has been demonstrated for a practical synthesis of vernakalant.

Substituent chemical shifts of N-arylsuccinanilic acids, N-arylsuccinimides, N-arylmaleanilic acids, and N-arylmaleimides

NMR spectra of a series of N-arylsuccinanilic acids, N-arylsuccinimides, N-arylmaleanilic acids, and N-arylmaleimides were examined to estimate the electronic effect of the amide and imide groups on the chemical shifts of the hydrogen and carbon nuclei of the benzene ring.