| Identification | More | [Name]
2,4'-Difluorobenzophenone | [CAS]
342-25-6 | [Synonyms]
2,4'-DIFLUOROBENZOPHENONE
LABOTEST-BB LT00159745
2,4"-DIFLUEOROBENZOPHENONE
2,4''-FLUOROBENZOPHENONE
2,4'-Difluorobenzophenone
(2-fluorophenyl)(4-fluorophenyl)methanone
2',4-Difluorobenzophenone
Methanone, (2-fluorophenyl)(4-fluorophenyl)-
2-Fluorophenyl(4-fluorophenyl) ketone | [EINECS(EC#)]
206-441-7 | [Molecular Formula]
C13H8F2O | [MDL Number]
MFCD00000319 | [Molecular Weight]
218.2 | [MOL File]
342-25-6.mol |
| Chemical Properties | Back Directory | [Appearance]
clear light yellow liquid after melting | [Melting point ]
22-24 °C(lit.)
| [Boiling point ]
176-178 °C16 mm Hg(lit.)
| [density ]
1.244 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.5689(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform, Methanol | [form ]
Solid | [color ]
Off-White | [Specific Gravity]
1.244 | [FreezingPoint ]
22.0 to 28.0 ℃ | [BRN ]
3268520 | [InChI]
InChI=1S/C13H8F2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H | [InChIKey]
LKFIWRPOVFNPKR-UHFFFAOYSA-N | [SMILES]
C(C1=CC=CC=C1F)(C1=CC=C(F)C=C1)=O | [CAS DataBase Reference]
342-25-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29147000 |
| Hazard Information | Back Directory | [Chemical Properties]
clear light yellow liquid after melting | [Uses]
2,4’-Difluorobenzophenone is a reactant in the synthesis of EP1 receptor antagonists for the treatment of overactive bladder. Also used in the design and synthesis of thiosemicarbazone cathespin L inhibitors. | [Synthesis]
The general procedure for the synthesis of (2-fluorophenyl)(4-fluorophenyl)methanone from 4-fluorophenylmagnesium bromide and o-fluorobenzoyl chloride was as follows: 2-fluorobenzoyl chloride (6 mmol, 1.0 eq.) was dissolved in 2-methyltetrahydrofuran (15 mL) and transported through the material channel A and the metering pump P1; meanwhile, 4-fluorophenylmagnesium bromide (9 mmol, 1.5 eq.) was dissolved in 2- methyltetrahydrofuran (15 mL), delivered through material channel B and metering pump P2. The two solutions were mixed in the mixing module M at a preset temperature of 25 °C and a flow rate of 1 mL/min, and then entered into the reaction module L for 1 hour. Upon completion of the reaction, the reaction solution flowed out of outlet D and was collected in 1 mol/L hydrochloric acid solution for quenching. The quenched solution was stirred, washed with saturated brine solution, dried with anhydrous sodium sulfate, concentrated and purified by column chromatography to afford the target product (2-fluorophenyl)(4-fluorophenyl)methanone. | [References]
[1] Patent: CN108409516, 2018, A. Location in patent: Paragraph 0049-0052
[2] Journal of the American Chemical Society, 1947, vol. 69, p. 662 |
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