Conditions | Yield |
---|---|
With pyridine; tert.-butylhydroperoxide In decane; acetonitrile at 80℃; for 24h; | 99% |
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; C12H8Cl3FeN2O4Zr4; oxygen; sodium nitrite In acetonitrile at 60℃; under 760.051 Torr; for 24h; | 99% |
With oxygen; sodium t-butanolate In dimethyl sulfoxide at 50℃; for 5h; Sealed tube; | 97% |
4,4'-(azidomethylene)bis(fluorobenzene)
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; vanadia In water at 100℃; for 6h; | 99% |
chloroformic acid ethyl ester
4-fluorophenylzinc bromide
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
at 20℃; for 3h; | 99% |
Conditions | Yield |
---|---|
With potassium carbonate; chlorobenzene; CyJohnPhos; bis(dibenzylideneacetone)-palladium(0) In toluene at 105℃; for 12h; | 98% |
With potassium carbonate; chlorobenzene In toluene at 105℃; for 12h; | 98% |
With potassium tetrakis-μ-pyrophosphitodiplatinate(II); tetrabutyl-ammonium chloride In dichloromethane; water at 20℃; for 8h; Inert atmosphere; Irradiation; | 98% |
Conditions | Yield |
---|---|
With C28H40Br4N4Pd2; potassium carbonate In ethanol; water at 50℃; for 2h; Suzuki Coupling; | 96% |
With [Pd(3-[(2,6-diisopropylphenyl)-1-imidazolio]-2-quinoxalinide)(PPh3)Cl2]; potassium carbonate In water at 100℃; for 3h; Suzuki-Miyaura Coupling; | 88% |
Conditions | Yield |
---|---|
With sodium nitrite In water; acetonitrile at 40℃; for 2.66667h; | 95% |
With ferrous(II) sulfate heptahydrate; benzyl seleninic acid In ethyl acetate at 60℃; for 24h; Green chemistry; | 93% |
With dibenzyl diselenide; dihydrogen peroxide In acetonitrile at 60℃; for 24h; | 72% |
4-fluorobenzenediazonium tetrafluoroborate
4-fluorobenzaldehyde
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With di-tert-butyl peroxide In 1,2-dichloro-ethane at 80℃; for 1h; | 93% |
4-fluoro-1-iodobenzene
molybdenum hexacarbonyl
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With 4,4'-di-tert-butyl-2,2'-bipyridine; nickel dibromide; zinc In 1,4-dioxane at 120℃; for 6h; Inert atmosphere; Sealed tube; | 93% |
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With 2,4,6-triphenylpyrylium tetrafluoroborate at 35℃; for 7h; Irradiation; | 92% |
Conditions | Yield |
---|---|
With water for 5h; | 91% |
With ethanol |
4-fluoro-1-iodobenzene
carbon monoxide
4-fluoroboronic acid
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With potassium phosphate; palladium diacetate at 20℃; for 3h; | 90% |
With iron(III) chloride; potassium acetate; sodium hydrogencarbonate; iron(II) chloride at 100℃; under 760.051 Torr; for 6h; Suzuki Coupling; Schlenk technique; | 85% |
With palladium diacetate; sodium carbonate In water at 100℃; under 760.051 Torr; for 8h; Suzuki Coupling; Sealed tube; Autoclave; Green chemistry; | 84% |
With potassium phosphate; nickel dichloride; Trimethylacetic acid at 80℃; under 760.051 Torr; for 24h; | 75% |
carbon monoxide
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With iodine; palladium diacetate; sodium carbonate at 80℃; under 760.051 Torr; for 12h; | 88% |
oxalyl dichloride
tris(4-fluorophenyl)bismuthane
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 80℃; for 4h; Inert atmosphere; | 86% |
benzoyl chloride
tributyl(naphthalene-2-yl)stannane
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With palladium diacetate In chloroform at 60℃; for 2h; Stille Cross Coupling; Inert atmosphere; | 85% |
tert-butylisonitrile
4-fluoroboronic acid
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With water; copper hydroxide; ammonium chloride; palladium dichloride In toluene at 100℃; for 16h; Schlenk technique; | 85% |
Conditions | Yield |
---|---|
With sodium tetrafluoroborate; [Cu(salicylate)2(NCMe)]2; tetrabutyl-ammonium chloride; oxygen In tetrahydrofuran at 60℃; for 12h; | 85% |
With di-tert-butyl peroxide; iron(II) chloride In decane; acetonitrile at 20℃; for 8h; Inert atmosphere; Schlenk technique; | 82% |
1-(4-fluorobenzoyl)pyrrolidine-2,5-dione
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With palladium diacetate; potassium carbonate In water at 20℃; for 6h; Suzuki-Miyaura Coupling; Green chemistry; | 84% |
A
1-tert-butyl-4-iodobenzene
B
4,4'-difluorobenzophenone imine
D
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With Chloroiodomethane; [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate In ethyl acetate for 12h; Quantum yield; Reagent/catalyst; Schlenk technique; Inert atmosphere; Irradiation; | A 83% B 51 %Chromat. C 11% D 17 %Chromat. |
Conditions | Yield |
---|---|
With bis(η3-allyl-μ-chloropalladium(II)); iodine; silver trifluoromethanesulfonate at 150℃; under 3040.2 Torr; for 22h; | 82% |
Conditions | Yield |
---|---|
With potassium fluoride In water; isopropyl alcohol; benzene | 80% |
Conditions | Yield |
---|---|
With oxygen; palladium diacetate; potassium hydrogencarbonate; sodium iodide at 80℃; under 760.051 Torr; for 23h; | 80% |
With tetrakis(triphenylphosphine) palladium(0); 1,3-bis-(diphenylphosphino)propane; silver nitrate In acetone at 40℃; under 760.051 Torr; for 24h; Autoclave; Inert atmosphere; | 72% |
With bis-triphenylphosphine-palladium(II) chloride; oxygen; copper(l) chloride In N,N-dimethyl-formamide at 80℃; for 24h; Schlenk technique; | 65% |
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 60℃; for 4h; | 79% |
Conditions | Yield |
---|---|
With potassium fluoride | 78% |
Conditions | Yield |
---|---|
Stage #1: 4-fluoro-1-iodobenzene With TurboGrignard In tetrahydrofuran at -40 - -10℃; for 0.25h; Inert atmosphere; Stage #2: With zinc(II) chloride In tetrahydrofuran for 0.5h; Inert atmosphere; Stage #3: 4-fluorobenzaldehyde With pivalaldehyde In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; Cooling with ice; | 78% |
carbon monoxide
4-fluoroboronic acid
1-Bromo-4-fluorobenzene
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In N,N-dimethyl-formamide at 120℃; under 760.051 Torr; for 4h; Suzuki Coupling; Sealed tube; | 77% |
1-Bromo-4-fluorobenzene
N,N-Dimethylcarbamoyl chloride
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
Stage #1: 1-Bromo-4-fluorobenzene With n-butyllithium In diethyl ether; hexane at -50 - -30℃; for 3h; Metallation; Stage #2: N,N-Dimethylcarbamoyl chloride In diethyl ether; hexane at -50 - 0℃; for 3h; Acylation; | 75% |
B
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With sodium formate; palladium In ethanol | A n/a B 73% |
1,1-bis-(4-fluorophenyl)ethene
1-(phenylsulfinyl)propan-2-one
A
2,2-bis(4-fluorophenyl)-2-hydroxyethyl acetate
B
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With oxygen; manganese triacetate In acetic acid at 32℃; for 12h; | A 1% B 11% C 72% |
1,1-bis-(4-fluorophenyl)ethene
manganese(III) acetylacetonate
A
5,5-Bis(4-fluorphenyl)-4,5-dihydro-2(3H)-furanon
B
4-acetyl-6,6-bis(4-fluorophenyl)-3-methyl-1,2-dioxan-3-ol
C
2,2-bis(4-fluorophenyl)-2-hydroxyethyl acetate
D
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With air; acetic acid at 23℃; for 12h; Further byproducts given; | A 2% B 72% C 4% D 2% |
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
With titanium tetrachloride; triethylamine In 1,2-dimethoxyethane at -78 - 20℃; | 100% |
(methoxymethyl)triphenylphosphonium chloride
4,4'-Difluorobenzophenone
1,1-bis(4-fluorophenyl)-2-methoxyethene
Conditions | Yield |
---|---|
With sodium hexamethyldisilazane In tetrahydrofuran; 1,4-dioxane for 2h; Wittig olefination; Heating; | 100% |
Stage #1: (methoxymethyl)triphenylphosphonium chloride With n-butyllithium In 1,4-dioxane; hexane at 0℃; Wittig reaction; Stage #2: 4,4'-Difluorobenzophenone In 1,4-dioxane; hexane at 0℃; Wittig reaction; Reflux; | 82% |
4,4'-Difluorobenzophenone
4,4'-difluorobenzophenone imine
Conditions | Yield |
---|---|
With ammonia; titanium tetrachloride In toluene at -30℃; | 100% |
With 1,1,1,3,3,3-hexamethyl-disilazane; scandium tris(trifluoromethanesulfonate) In chlorobenzene at 90℃; for 2h; Inert atmosphere; | 99% |
With ammonia; titanium tetrachloride In toluene Inert atmosphere; | 82% |
titanium tetrachloride In toluene |
Conditions | Yield |
---|---|
In ISOPROPYLAMIDE; toluene | 100% |
Conditions | Yield |
---|---|
With hydroxylamine hydrochloride In ethanol Heating; | 99% |
With hydroxylamine; sodium hydroxide In methanol at 40℃; for 0.166667h; | 91.9% |
With hydroxylamine hydrochloride; sodium hydroxide In ethanol; water Reflux; | 88.5% |
Conditions | Yield |
---|---|
With CdS(x)Se(1-x) x:0-1;; para-thiocresol In hexane for 22h; Inert atmosphere; Irradiation; | 99% |
With indium(III) chloride; ammonium chloride; aluminium In ethanol; water at 80℃; for 5h; | 98% |
With methanol; gallium nitride at 20℃; for 12h; Irradiation; Sealed tube; | 96% |
Conditions | Yield |
---|---|
With caesium carbonate In 1-methyl-pyrrolidin-2-one at 160℃; for 4h; Reagent/catalyst; Solvent; Temperature; Schlenk technique; Inert atmosphere; | 99% |
With caesium carbonate In dimethyl sulfoxide at 70℃; for 15h; Inert atmosphere; | 75% |
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In dichloromethane at 20℃; Inert atmosphere; | 99% |
With boron trifluoride diethyl etherate; sodium sulfate In chloroform at 0 - 20℃; Inert atmosphere; |
4,4'-Difluorobenzophenone
methyl (triphenylphosphoranylidene)acetate
Conditions | Yield |
---|---|
In toluene for 36h; Wittig Olefination; Reflux; | 99% |
Conditions | Yield |
---|---|
With N,N-dimethyl acetamide; potassium carbonate In chlorobenzene at 185℃; for 10h; | 98.5% |
Conditions | Yield |
---|---|
With sodium tetrahydroborate In methanol at 0℃; for 1h; Inert atmosphere; | 98% |
With methanol; sodium tetrahydroborate at 0 - 20℃; | 96% |
With sodium tetrahydroborate In methanol at 20℃; | 96% |
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide; toluene at 140 - 145℃; for 6h; | 98% |
Conditions | Yield |
---|---|
With potassium carbonate In 1-methyl-pyrrolidin-2-one; toluene at 150 - 155℃; for 6h; | 98% |
Conditions | Yield |
---|---|
With potassium carbonate In sulfolane; xylene at 170 - 175℃; for 6h; | 98% |
4,4'-Difluorobenzophenone
trimethylsilylacetylene
1,1-bis(4-fluorophenyl)prop-2-yn-1-ol
Conditions | Yield |
---|---|
Stage #1: trimethylsilylacetylene With n-butyllithium In tetrahydrofuran at -10℃; for 1h; Stage #2: 4,4'-Difluorobenzophenone In tetrahydrofuran at -10℃; for 5h; Stage #3: With methanol; potassium hydroxide In tetrahydrofuran at 0 - 20℃; for 12h; | 98% |
Stage #1: trimethylsilylacetylene With n-butyllithium In tetrahydrofuran; hexane at -10℃; for 1h; Inert atmosphere; Stage #2: 4,4'-Difluorobenzophenone In tetrahydrofuran; hexane at -10℃; for 3h; Stage #3: With water; sodium hydroxide In methanol at 0 - 20℃; | 96% |
Stage #1: 4,4'-Difluorobenzophenone; trimethylsilylacetylene With n-butyllithium In tetrahydrofuran Stage #2: With potassium hydroxide In methanol |
C40H26N4O4
4,4'-Difluorobenzophenone
polymer, number of sulfonic acid groups per repeating unit 1.67; monomer(s): 4,4'-[biphenyl-4,4'-diylbis(oxybenzene-4,1-diyl)]diphthalazin-1(2H)-one; sodium 4,4'-difluorobenzophenone-3,3'-disulfonate; 4,4'-difluorobenzophenone
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide at 140 - 175℃; for 22h; | 98% |
C40H26N4O4
4,4'-Difluorobenzophenone
polymer, number of sulfonic acid groups per repeating unit 1.24; monomer(s): 4,4'-[biphenyl-4,4'-diylbis(oxybenzene-4,1-diyl)]diphthalazin-1(2H)-one; sodium 4,4'-difluorobenzophenone-3,3'-disulfonate; 4,4'-difluorobenzophenone
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide at 140 - 175℃; for 22h; | 98% |
Conditions | Yield |
---|---|
Stage #1: 4,4'-Difluorobenzophenone; phenylhydrazine With N,N,N,N,N,N-hexamethylphosphoric triamide In dichloromethane at 25℃; for 0.166667h; Inert atmosphere; Stage #2: With trichlorosilane In dichloromethane at 25℃; for 12h; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
With potassium hexamethylsilazane In toluene at 20℃; for 0.25h; Inert atmosphere; | 98% |
4,4'-Difluorobenzophenone
Conditions | Yield |
---|---|
In toluene at 20℃; for 0.2h; Paterno-Buechi Cycloaddition; Inert atmosphere; Irradiation; diastereoselective reaction; | 98% |
Conditions | Yield |
---|---|
With potassium carbonate In sulfolane; toluene at 150 - 155℃; for 6h; | 97% |
Conditions | Yield |
---|---|
With potassium carbonate In sulfolane; toluene at 150 - 155℃; for 6h; | 97% |
Conditions | Yield |
---|---|
With potassium carbonate In sulfolane; xylene at 170 - 175℃; for 6h; | 97% |
C40H26N4O4
4,4'-Difluorobenzophenone
polymer, number of sulfonic acid groups per repeating unit 1.02; monomer(s): 4,4'-[biphenyl-4,4'-diylbis(oxybenzene-4,1-diyl)]diphthalazin-1(2H)-one; sodium 4,4'-difluorobenzophenone-3,3'-disulfonate; 4,4'-difluorobenzophenone
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide at 140 - 175℃; for 22h; | 97% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide; toluene at 135 - 145℃; for 12h; Inert atmosphere; | 97% |
This chemical is called 4,4'-Difluorobenzophenone, and its IUPAC name is bis(4-fluorophenyl)methanone. With the molecular formula of C13H8F2O, its product categories are Fluorobenzene Series; Aromatic Benzophenones & Derivatives (substituted); Benzophenones (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research; C13 to C14; Carbonyl Compounds; Ketones. The CAS registry number of this chemical is 345-92-6. Additionally, it's a metabolite of flunarizine.
Other characteristics of the 4,4'-Difluorobenzophenone can be summarised as followings: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 332.88; (6)ACD/BCF (pH 7.4): 332.88; (7)ACD/KOC (pH 5.5): 2223.6; (8)ACD/KOC (pH 7.4): 2223.6; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 56.03 cm3; (15)Molar Volume: 175.9 cm3; (16)Polarizability: 22.21×10-24cm3; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.239 g/cm3; (19)Flash Point: 118.4 °C; (20)Enthalpy of Vaporization: 54.96 kJ/mol; (21)Boiling Point: 308.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000664 mmHg at 25°C.
Production method of this chemical: The 4,4'-Difluorobenzophenone could be obtained by the reactant of 4-fluoro-benzoyl chloride. This reaction needs the solvent of acetonitrile. The yield is 42 %.
Uses of this chemical: The 4,4'-Difluorobenzophenone could react with morpholine to obtain the 4,4'-dimorpholinobenzophenone. This reaction needs the solvent of various solvent(s). The yield is 80 %. In addition, this reaction should be taken for 40 hours at the temperature of 140 °C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccc(F)cc1)c2ccc(F)cc2
2.InChI: InChI=1/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
3.InChIKey: LSQARZALBDFYQZ-UHFFFAOYAZ
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04689, |
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