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CAS No.: | 108464-88-6 |
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Name: | 1,3-BIS(4-FLUOROBENZOYL)BENZENE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C20H12F2O2 |
Molecular Weight: | 322.311 |
Synonyms: | Methanone,1,3-phenylenebis[(4-fluorophenyl)- (9CI);1,3-Bis(p-fluorobenzoyl)benzene; |
EINECS: | 1312995-182-4 |
Density: | 1.268 g/cm3 |
Melting Point: | 181-183 °C(lit.) |
Boiling Point: | 476.3 °C at 760 mmHg |
Flash Point: | 178.9 °C |
PSA: | 34.14000 |
LogP: | 4.42680 |
fluorobenzene
benzene-1,3-dicarbonyl dichloride
1,3-bis(4'-fluorobenzoyl)benzene
Conditions | Yield |
---|---|
With aluminium trichloride at 23℃; for 4h; Friedel-Crafts acylation; | 98% |
Stage #1: benzene-1,3-dicarbonyl dichloride With aluminum (III) chloride In dichloromethane for 0.5h; Friedel-Crafts Acylation; Inert atmosphere; Reflux; Stage #2: fluorobenzene In dichloromethane for 12h; Friedel-Crafts Acylation; Inert atmosphere; | 56% |
Stage #1: benzene-1,3-dicarbonyl dichloride With aluminum (III) chloride In dichloromethane for 0.5h; Reflux; Stage #2: fluorobenzene In dichloromethane for 12h; Reflux; | 42% |
With aluminum (III) chloride for 8h; Friedel-Crafts Acylation; Inert atmosphere; | 3.24 g |
tris(4-fluorophenyl)bismuthane
benzene-1,3-dicarbonyl dichloride
1,3-bis(4'-fluorobenzoyl)benzene
Conditions | Yield |
---|---|
With triethylamine; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 80℃; for 3h; | 76% |
With tributyl-amine In 1-methyl-pyrrolidin-2-one at 80℃; for 4h; Schlenk technique; Inert atmosphere; | 74% |
4,4'-Dihydroxybiphenyl
2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt
1,3-bis(4'-fluorobenzoyl)benzene
Conditions | Yield |
---|---|
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃; | 100% |
4,4'-Dihydroxybiphenyl
2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt
1,3-bis(4'-fluorobenzoyl)benzene
Conditions | Yield |
---|---|
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃; | 100% |
4,4'-Dihydroxybiphenyl
2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt
1,3-bis(4'-fluorobenzoyl)benzene
Conditions | Yield |
---|---|
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃; | 100% |
4,4'-Dihydroxybiphenyl
2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt
1,3-bis(4'-fluorobenzoyl)benzene
Conditions | Yield |
---|---|
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃; | 100% |
4,4'-Dihydroxybiphenyl
2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt
1,3-bis(4'-fluorobenzoyl)benzene
Conditions | Yield |
---|---|
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃; | 100% |
2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt
1,3-bis(4'-fluorobenzoyl)benzene
Conditions | Yield |
---|---|
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃; | 100% |
2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt
hydroquinone
1,3-bis(4'-fluorobenzoyl)benzene
Conditions | Yield |
---|---|
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃; | 100% |
2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt
hydroquinone
1,3-bis(4'-fluorobenzoyl)benzene
Conditions | Yield |
---|---|
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃; | 100% |
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The systematic name of 1,3-Bis(4-fluorobenzoyl)benzene is benzene-1,3-diylbis[(4-fluorophenyl)methanone] . With the CAS registry number 108464-88-6, it is also named as 1,3-Phenylenebis[(4-fluorophenyl)methanone] ; methanone, 1,1'-(1,3-phenylene)bis[1-(4-fluorophenyl)- . The product's categories are C15 to C38, carbonyl compounds and ketones. It is used as pharmaceutical intermediates. 1,3-Bis(4-fluorobenzoyl)benzene must be sealed in the container. Keep the container tightly sealed and store in a cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.86 ; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2 ; (4)#H bond donors: 0 ; (5)#Freely Rotating Bonds: 4 ; (6)Index of Refraction: 1.59 ; (7)Molar Refractivity: 85.82 cm3 ; (8)Molar Volume: 254 cm3 ; (9)Polarizability: 34.02×10-24 cm3 ; (10)Surface Tension: 45.7 dyne/cm ; (11)Enthalpy of Vaporization: 74 kJ/mol ; (12)Vapour Pressure: 3.08E-09 mmHg at 25°C.
People can use the following data to convert to the molecule structure. SMILES: O=C(c1ccc(F)cc1)c3cccc(C(=O)c2ccc(F)cc2)c3; InChI: InChI=1/C20H12F2O2/c21-17-8-4-13(5-9-17)19(23)15-2-1-3-16(12-15)20(24)14-6-10-18(22)11-7-14/h1-12H; InChIKey: PISLKPDKKIDMQT-UHFFFAOYAJ. The price of this product changes with the market.