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4-Acetylbiphenyl
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Name

4-Acetylbiphenyl

 EINECS 202-202-6
CAS No. 92-91-1 Density 1.053 g/cm3
PSA 17.07000 LogP 3.55620
Solubility insoluble in water Melting Point 152-155 °C(lit.)
Formula C14H12O Boiling Point 326 °C at 760 mmHg
Molecular Weight 196.249 Flash Point 139.9 °C
Transport Information N/A Appearance Off-white to beige powder
Safety 22-24/25-36-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 92-91-1 (4-Acetylbiphenyl) Hazard Symbols IrritantXi
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-;

Article Data 799

4-Acetylbiphenyl Synthetic route

5707-44-8

4-ethylbiphenyl

92-91-1

biphenyl-4-acetaldehyde

Conditions
ConditionsYield
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%
99-91-2

para-chloroacetophenone

98-80-6

phenylboronic acid

92-91-1

biphenyl-4-acetaldehyde

Conditions
ConditionsYield
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%
99-90-1

para-bromoacetophenone

98-80-6

phenylboronic acid

92-91-1

biphenyl-4-acetaldehyde

Conditions
ConditionsYield
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%
3562-73-0

1-(4-phenyl-phenyl)-1-ethanol

92-91-1

biphenyl-4-acetaldehyde

Conditions
ConditionsYield
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%
960-16-7

tributylphenylstannane

99-90-1

para-bromoacetophenone

92-91-1

biphenyl-4-acetaldehyde

Conditions
ConditionsYield
{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%
6135-51-9

2-([1,1'-biphenyl]-4-yl)-2-methyl-1,3-dioxolane

92-91-1

biphenyl-4-acetaldehyde

Conditions
ConditionsYield
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%
13329-40-3

4-Iodoacetophenone

tetrabutylammonium triphenyldifluorosilicate

92-91-1

biphenyl-4-acetaldehyde

Conditions
ConditionsYield
bis(η3-allyl-μ-chloropalladium(II)) In N,N-dimethyl-formamide at 95℃; for 21h;100%
13329-40-3

4-Iodoacetophenone

98-80-6

phenylboronic acid

92-91-1

biphenyl-4-acetaldehyde

Conditions
ConditionsYield
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%
591-50-4

iodobenzene

149104-90-5

4-acetylphenylboronic acid

92-91-1

biphenyl-4-acetaldehyde

Conditions
ConditionsYield
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%
108-86-1

bromobenzene

149104-90-5

4-acetylphenylboronic acid

92-91-1

biphenyl-4-acetaldehyde

Conditions
ConditionsYield
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%

4-Acetylbiphenyl Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

4-Acetylbiphenyl Specification

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%.

Ethanone, 1-(1,1'-biphenyl)-4-yl- can react with morpholine to produce 4-(biphenyl-4-yl-thioacetyl)-morpholine

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.

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