| Identification | More | [Name]
2-Fluorobenzamide | [CAS]
445-28-3 | [Synonyms]
2-FLUOROBENZAMIDE
LABOTEST-BB LT00848244
O-FLUOROBENZAMIDE
2-fluoro-benzamid
o-fluoro-benzamid
ortho-Fluorobenzamide
2-Fluorobenzamide o-Fluorobenzamide
2-Fluorobenzamide,98% | [EINECS(EC#)]
207-157-6 | [Molecular Formula]
C7H6FNO | [MDL Number]
MFCD00007970 | [Molecular Weight]
139.13 | [MOL File]
445-28-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white crystalline powder | [Melting point ]
117-119 °C (lit.) | [Boiling point ]
238.4±23.0 °C(Predicted) | [density ]
1.2099 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), DMSO (Slightly) | [form ]
powder to crystal | [pka]
15.27±0.50(Predicted) | [color ]
White to Almost white | [BRN ]
2325863 | [InChI]
InChI=1S/C7H6FNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10) | [InChIKey]
KGGHWIKBOIQEAJ-UHFFFAOYSA-N | [SMILES]
C(N)(=O)C1=CC=CC=C1F | [CAS DataBase Reference]
445-28-3(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzamide, 2-fluoro-(445-28-3) | [EPA Substance Registry System]
445-28-3(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [RTECS ]
CV4953333
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29242990 |
| Hazard Information | Back Directory | [Chemical Properties]
white crystalline powder | [Uses]
2-Fluorobenzamide can be useful in microwave assisted preparation of oxazole-dehydrozingerone based hybrid molecules as anti-tubercular agents and their docking for Mtb DNA gyrase. | [General Description]
2-Fluorobenzamide inhibits the activity of poly(ADP-ribose) synthetase in vitro. It undergoes coupling with anilines in the presence of lithium amides to yield N-arylanthranilamides. | [Synthesis]
The general procedure for the synthesis of o-fluorobenzamide from (E)-2-fluorobenzaldehyde oxime was as follows: (E)-2-fluorobenzaldehyde oxime (69.6 mg, 0.5 mmol) and [Cp*Ir(H2O)3][OTf]2 (5.1 mg, 0.0075 mmol) were added sequentially to a 25 mL Schlenk reaction flask. The reaction mixture was stirred at 110 °C for 12 hours. After completion of the reaction, the mixture was cooled to room temperature and the solvent was removed by rotary evaporation. The crude product was purified by column chromatography to give o-fluorobenzamide in 83% yield. The structure of the product was confirmed by nuclear magnetic resonance hydrogen (1H NMR) and carbon (13C NMR) spectra: 1H NMR (400 MHz, DMSO-d6) δ 7.54-7.50 (m, 1H, ArH), 7.29-7.25 (m, 3H, ArH); 13C NMR (100 MHz, DMSO-d6) δ 162.3 (d, JCF = 247.7 Hz), 132.4 (d, JCF = 8.8 Hz), 130.1 (d, JCF = 6.6 Hz), 124.3 (d, JCF = 2.6 Hz), 123.8 (d, JCF = 14.0 Hz), 116.0 (d, JCF = 22.5 Hz). | [References]
[1] RSC Advances, 2016, vol. 6, # 43, p. 37093 - 37098
[2] Organometallics, 2012, vol. 31, # 17, p. 6482 - 6490
[3] Catalysis Science and Technology, 2014, vol. 4, # 4, p. 988 - 996
[4] Patent: CN104418682, 2016, B. Location in patent: Paragraph 0047-0050 |
|
|