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CAS No.: | 92-91-1 |
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Name: | 4-Acetylbiphenyl |
Article Data: | 799 |
Molecular Structure: | |
Formula: | C14H12O |
Molecular Weight: | 196.249 |
Synonyms: | 4-Phenylacetophenone;Acetophenone,4'-phenyl- (6CI,7CI,8CI);Acetophenone, p-phenyl- (4CI);(1-[1,1'-Biphenyl]-4-yl)ethanone;1,1'-Biphenyl-4-yl methyl ketone;1-(4-Phenylphenyl)ethanone;1-Acetyl-4-phenylbenzene;1-Biphenyl-4-ylethanone;4-Acetyl-1,1'-biphenyl;4-Biphenylyl methyl ketone;4-Ethanoylbiphenyl;4'-Phenylacetophenone;Methyl 4-biphenylyl ketone;NSC1875;p-Acetylbiphenyl;p-Phenylacetophenone;1-(1,1'-biphenyl-4-yl)ethanone;1-(4-Biphenylyl)ethanone;1-(Biphenyl-4-yl)ethanon;4-Acetylbiphenyl;4-biphenylcarboxaldehyde;ethanone, 1-[1,1'-biphenyl]-4-yl-; |
EINECS: | 202-202-6 |
Density: | 1.053 g/cm3 |
Melting Point: | 152-155 °C(lit.) |
Boiling Point: | 326 °C at 760 mmHg |
Flash Point: | 139.9 °C |
Solubility: | insoluble in water |
Appearance: | Off-white to beige powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 22-24/25-36-26 |
PSA: | 17.07000 |
LogP: | 3.55620 |
Conditions | Yield |
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With magnesium(II) perchlorate; oxygen; 9,10-Dicyanoanthracene In acetonitrile for 3h; Thermodynamic data; Mechanism; Rate constant; Irradiation; with and without singlet oxygen senzitizers, in less polar solvents; addition of 1,4-diazabicyclo<2.2.2>octane; ΔG; fluorescence quenching rate const.; var. biphenyls and terphenyls; | 100% |
With hydrogen bromide; dihydrogen peroxide In dichloromethane; water at 20℃; for 12h; | 85% |
With air; Ag/AgBr/TiO2 nanotubes In neat (no solvent) at 20℃; for 12h; Irradiation; Green chemistry; | 84% |
Conditions | Yield |
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With potassium phosphate; catacxium A; palladium diacetate In toluene at 100℃; for 20h; Suzuki cross-coupling reaction; | 100% |
With potassium phosphate; N,N-diisopropyl 2-dicyclohexylphosphino-4-phenylbenzamide; tris(dibenzylideneacetone)dipalladium (0) In tetrahydrofuran at 65℃; for 4h; Suzuki cross-coupling reaction; | 100% |
With 1,4-diaza-bicyclo[2.2.2]octane; caesium carbonate; palladium diacetate In N,N-dimethyl-formamide at 110℃; for 17h; Suzuki-Miyaura cross-coupling; | 100% |
Conditions | Yield |
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With potassium carbonate; {1,3-di[(R)-1-PhEt]imidazolin-2-ylidene}(PPh3)PdI2 In xylene at 130℃; for 13h; Suzuki-Miyaura cross-coupling reaction; | 100% |
With tetrabutylammomium bromide; potassium carbonate; quasi polymeric 4-pyridine-aldoxime Pd(II)-catalyst at 120℃; for 0.333333h; Suzuki-Miyaura reaction; microwave irradiation; | 100% |
With 3-tert-butyl-5-methyl-1-(2-(diphenylphosphino)phenyl)-1H-pyrazole; tris(dibenzylideneacetone)dipalladium (0) In toluene at 65℃; for 2h; Suzuki coupling; | 100% |
Conditions | Yield |
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With aluminium trichloride; acetophenone oxime; 1-benzyl-4-aza-1-azoniabicyclo[2.2.2]octane dichromate at 20℃; | 100% |
With dinitrogen monoxide; dioxo(tetramesitylporphyrinato)ruthenium(VI) In 1,2-dichloro-ethane at 120℃; under 7600 Torr; for 7.5h; | 100% |
With dinitrogen monoxide; dioxo(tetramesitylporphyrinato)ruthenium(VI) In 1,2-dichloro-ethane at 120℃; under 7500.6 Torr; for 7.5h; | 100% |
Conditions | Yield |
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{1,3-di[(R)-1-PhEt]imidazolin-2-ylidene}(PCPh)PdI2 In toluene at 110℃; for 17h; Stille reaction; | 100% |
With 1,4-diaza-bicyclo[2.2.2]octane; potassium hydroxide; poly(ethylene glycol)-400; palladium diacetate In water at 80℃; for 10h; Stille coupling; | 100% |
With potassium carbonate; trans-(1,3-di(1'-(R)-phenylethyl)imidazolin-2-ylidene)(tricyclohexylphosphine)palladium(II) diiodide In toluene at 110℃; for 17h; Stille cross coupling; | 99% |
Conditions | Yield |
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With aluminium trichloride; 1-benzyl-4-aza-1-azoniabicyclo[2.2.2]octane dichromate; (3,4-dimethoxyphenyl)methanol for 0.0333333h; | 100% |
With n-butyltriphenylphosphonium peroxodisulfate In acetonitrile for 2.5h; Heating; | 99% |
With K5 In acetone for 0.166667h; Heating; | 97% |
4-Iodoacetophenone
biphenyl-4-acetaldehyde
Conditions | Yield |
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bis(η3-allyl-μ-chloropalladium(II)) In N,N-dimethyl-formamide at 95℃; for 21h; | 100% |
Conditions | Yield |
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With trihexyl(tetradecyl)phosphonium chloride; potassium phosphate; tris(dibenzylideneacetone)dipalladium(0) chloroform complex In toluene at 50℃; for 1h; Suzuki cross-coupling; | 100% |
Stage #1: 4-Iodoacetophenone With tetrakis(triphenylphosphine) palladium(0) In 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide at 20 - 110℃; Suzuki coupling; Inert atmosphere; Ionic liquid; Stage #2: phenylboronic acid With triethylamine In 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide; water at 20 - 110℃; Suzuki coupling; Ionic liquid; Inert atmosphere; | 100% |
With potassium carbonate In ethanol; water at 20℃; for 0.5h; Suzuki-Miyaura reaction; in air; | 100% |
Conditions | Yield |
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With potassium carbonate In ethanol at 100℃; for 4h; Suzuki Coupling; High pressure; Green chemistry; | 100% |
With potassium carbonate In ethanol at 80℃; for 12h; Suzuki-Miyaura coupling; Inert atmosphere; | 99% |
With potassium carbonate In ethanol at 80℃; for 12h; Suzuki coupling; Inert atmosphere; | 99% |
Conditions | Yield |
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With tri-tert-butyl phosphine; palladium diacetate; potassium hydroxide In tetrahydrofuran; water at 24℃; for 0.0833333h; Suzuki-Miyaura Coupling; Flow reactor; | 100% |
With C24H30N4O7; potassium carbonate; palladium dichloride In water at 20℃; for 1.5h; Suzuki coupling; | 99% |
With potassium carbonate In water at 25℃; for 18h; Suzuki-Miyaura Coupling; | 99% |
The Ethanone, 1-(1,1'-biphenyl)-4-yl-, with the CAS registry number 92-91-1 and EINECS registry number 202-202-6, has the systematic name of 1-(biphenyl-4-yl)ethanone. And the molecular formula of this chemical is C14H12O. It is a kind of off-white to beige powder, and belongs to the following product categories: Fine chemical & intermediates; Biphenyl derivatives; API intermediates; Adehydes, Acetals & Ketones. What's more, it is an inhibitor of renieratene, and it is also used in the organic synthesis. In addition, it is used intermediates of liquid crystals.
The physical properties of Ethanone, 1-(1,1'-biphenyl)-4-yl- are as following: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.51; (5)ACD/BCF (pH 5.5): 274.52; (6)ACD/BCF (pH 7.4): 274.52; (7)ACD/KOC (pH 5.5): 1937.02; (8)ACD/KOC (pH 7.4): 1937.02; (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: 1.567; (14)Molar Refractivity: 60.87 cm3; (15)Molar Volume: 186.2 cm3; (16)Polarizability: 24.13×10-24cm3; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.053 g/cm3; (19)Flash Point: 139.9 °C; (20)Enthalpy of Vaporization: 56.82 kJ/mol; (21)Boiling Point: 326 °C at 760 mmHg; (22)Vapour Pressure: 0.000222 mmHg at 25°C.
Uses of Ethanone, 1-(1,1'-biphenyl)-4-yl-: It can react with morpholine to produce 4-(biphenyl-4-yl-thioacetyl)-morpholine. This reaction will need reagent sulfur. The reaction time is 4 minutes with microwave irradiation, and the yield is about 95%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe dust; Avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2ccc(c1ccccc1)cc2)C
(2)InChI: InChI=1/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3
(3)InChIKey: QCZZSANNLWPGEA-UHFFFAOYAF
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | > 2gm/kg (2000mg/kg) | Medicina Experimentalis. Vol. 11, Pg. 137, 1964. |