Product Name

  • Name

    2-(4-Ethylbenzoyl)benzoic acid

  • EINECS 214-566-3
  • CAS No. 1151-14-0
  • Article Data18
  • CAS DataBase
  • Density 1.194 g/cm3
  • Solubility
  • Melting Point
  • Formula C16H14O3
  • Boiling Point 459.6 °C at 760 mmHg
  • Molecular Weight 254.285
  • Flash Point 245.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 1151-14-0 (2-(4-Ethylbenzoyl)benzoic acid)
  • Hazard Symbols
  • Synonyms o-(p-Ethylbenzoyl)benzoic acid;
  • PSA 54.37000
  • LogP 3.17820

Synthetic route

phthalic anhydride
85-44-9

phthalic anhydride

ethylbenzene
100-41-4

ethylbenzene

2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

Conditions
ConditionsYield
With aluminum (III) chloride at 25 - 60℃; for 3h;96%
With aluminum (III) chloride In chlorobenzene at 20 - 40℃; for 4h;91%
In chlorobenzene at 55 - 75℃; for 6h; Temperature;53.6%
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

2-ethylanthraquinone
84-51-5

2-ethylanthraquinone

Conditions
ConditionsYield
With sulfuric acid at 50 - 120℃; for 0.5h; Temperature;95.5%
With fuming sulphuric acid at 135℃; Temperature; Milling;94.3%
Stage #1: 2-(4’-ethylbenzoyl)benzoic acid With thionyl chloride at 70℃; for 1h;
Stage #2: With aluminum (III) chloride at 70℃; for 0.666667h; Temperature; Reagent/catalyst;		94%
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

4-(4-Ethyl-phenyl)-2H-phthalazin-1-one

4-(4-Ethyl-phenyl)-2H-phthalazin-1-one

Conditions
ConditionsYield
With hydrazine hydrate In ethanol for 5h; Heating;89%
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

4-(4-Ethyl-phenyl)-benzo[d][1,2]oxazin-1-one
120450-32-0

4-(4-Ethyl-phenyl)-benzo[d][1,2]oxazin-1-one

Conditions
ConditionsYield
With hydroxylamine hydrochloride; sodium acetate In ethanol for 2h; Heating;82%
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

di(n-butyl)tin oxide
818-08-6

di(n-butyl)tin oxide

bis(dicarboxylatotetrabutyldistannoxane)

bis(dicarboxylatotetrabutyldistannoxane)

Conditions
ConditionsYield
In toluene for 8h; Reflux; Dean-Stark;70.1%
phenylstannoic acid
2273-44-1

phenylstannoic acid

2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

[PhSnO(2-(4-ethylbenzoyl)benzoate)]6

[PhSnO(2-(4-ethylbenzoyl)benzoate)]6

Conditions
ConditionsYield
In toluene for 8h; Reflux; Dean-Stark;67.1%
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

4-(methylsulfonyl)phenylhydrazine
877-66-7

4-(methylsulfonyl)phenylhydrazine

4-(4-ethylphenyl)-2-[4-(methylsulfonyl)phenyl]phthalazin-1-one

4-(4-ethylphenyl)-2-[4-(methylsulfonyl)phenyl]phthalazin-1-one

Conditions
ConditionsYield
In ethanol Reflux;42.6%
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

5-chloro-2-nitrophenylhydrazine
1966-16-1

5-chloro-2-nitrophenylhydrazine

2-(2-nitro-5-chlorophenyl)-4-(4-ethylphenyl)-1,2-dihydrophthalazin-1(2H)-one
300730-53-4

2-(2-nitro-5-chlorophenyl)-4-(4-ethylphenyl)-1,2-dihydrophthalazin-1(2H)-one

Conditions
ConditionsYield
With sulfuric acid In ethanol at 100 - 120℃; for 1.5h;35%
With sulfuric acid In ethanol for 1.5h; Reflux;35%
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

4-hydrazinobenzene-1-sulfonamide hydrochloride
17852-52-7, 27918-19-0

4-hydrazinobenzene-1-sulfonamide hydrochloride

4-[4-(4-ethylphenyl)-1-oxophthalazin-2(1H)-yl]-benzenesulfonamide

4-[4-(4-ethylphenyl)-1-oxophthalazin-2(1H)-yl]-benzenesulfonamide

Conditions
ConditionsYield
In ethanol Reflux;30.5%
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

2-(4-ethyl-benzyl)-benzoic acid
36778-39-9

2-(4-ethyl-benzyl)-benzoic acid

Conditions
ConditionsYield
With sodium hydroxide; copper(I) sulfate; zinc
palladium In N-methyl-acetamide; water; acetic acid
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

furan-2,3,5(4H)-trione pyridine (1:1)

furan-2,3,5(4H)-trione pyridine (1:1)

zinc dust

zinc dust

ammoniacal copper sulfate

ammoniacal copper sulfate

2-(4-ethyl-benzyl)-benzoic acid
36778-39-9

2-(4-ethyl-benzyl)-benzoic acid

...Expand
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

9-chloro-5-(4-ethylphenyl)benzo[4,5]imidazo[2,1-a]phthalazine

9-chloro-5-(4-ethylphenyl)benzo[4,5]imidazo[2,1-a]phthalazine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 35 percent / sulfuric acid / ethanol / 1.5 h / 100 - 120 °C
2: 62 percent / phosphoric acid; iron / 100 - 140 °C
View Scheme
Multi-step reaction with 3 steps
1: 35 percent / sulfuric acid / ethanol / 1.5 h / 100 - 120 °C
2: 79 percent / hydrogen / palladium on charcoal / tetrahydrofuran / 20 °C / atmospheric pressure
3: 68 percent / polyphosphoric acid / 0.17 h / 130 °C
View Scheme
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

2-(2-amino-5-chlorophenyl)-4-(4-ethylphenyl)-1,2-dihydro-1-phthalazinone
311317-06-3

2-(2-amino-5-chlorophenyl)-4-(4-ethylphenyl)-1,2-dihydro-1-phthalazinone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 35 percent / sulfuric acid / ethanol / 1.5 h / 100 - 120 °C
2: 79 percent / hydrogen / palladium on charcoal / tetrahydrofuran / 20 °C / atmospheric pressure
View Scheme
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

5-(4-ethylphenyl)-9-piperidinobenzo[4,5]imidazo[2,1-a]phthalazine

5-(4-ethylphenyl)-9-piperidinobenzo[4,5]imidazo[2,1-a]phthalazine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 35 percent / sulfuric acid / ethanol / 1.5 h / 100 - 120 °C
2: 63 percent / 1.5 h / Heating
3: 66 percent / phosphoric acid; iron / 100 - 140 °C
View Scheme
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

2-(2-nitro-5-piperidinophenyl)-4-(4-ethylphenyl)-1,2-dihydro-1-phthalazinone
347315-89-3

2-(2-nitro-5-piperidinophenyl)-4-(4-ethylphenyl)-1,2-dihydro-1-phthalazinone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 35 percent / sulfuric acid / ethanol / 1.5 h / 100 - 120 °C
2: 63 percent / 1.5 h / Heating
View Scheme
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

4-(4-Ethyl-phenyl)-2-(2-imidazol-1-yl-ethyl)-2H-phthalazin-1-one

4-(4-Ethyl-phenyl)-2-(2-imidazol-1-yl-ethyl)-2H-phthalazin-1-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 89 percent / 80percent N2H4*H2O / ethanol / 5 h / Heating
2: 70 percent / K2CO3 / dimethylformamide / 5 h / 80 °C
View Scheme
stannane
7440-31-5

stannane

2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

2-(4-ethyl-benzyl)-benzoic acid
36778-39-9

2-(4-ethyl-benzyl)-benzoic acid

Conditions
ConditionsYield
With hydrogenchloride In acetic acid
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

C25H21FN2O2

C25H21FN2O2

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 5,5-dimethyl-1,3-cyclohexadiene / Reflux; Dean-Stark
2: pyridine / 0 - 20 °C
View Scheme
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

ethylenediamine
107-15-3

ethylenediamine

9b-(4-ethyl-phenyl)-1,2,3,9b-tetrahydro-imidazo[2,1-a]isoindol-5-one
5983-41-5

9b-(4-ethyl-phenyl)-1,2,3,9b-tetrahydro-imidazo[2,1-a]isoindol-5-one

Conditions
ConditionsYield
In 5,5-dimethyl-1,3-cyclohexadiene Reflux; Dean-Stark;
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

ortho(4'-ethylbenzoyl)benzoic acid chloride
78246-03-4

ortho(4'-ethylbenzoyl)benzoic acid chloride

Conditions
ConditionsYield
With thionyl chloride at 50℃; for 2h;
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

(S)-2-(1-(4-ethylphenyl)ethyl)benzoic acid

(S)-2-(1-(4-ethylphenyl)ethyl)benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: potassium tert-butylate / tetrahydrofuran / 0.5 h / 0 °C / Inert atmosphere
1.2: 36 h / 0 - 20 °C / Inert atmosphere
2.1: hydrogen; bis(norbornadiene)rhodium(l)tetrafluoroborate; C24H41FeNP2 / ethanol; 2,2,2-trifluoroethanol / 12 h / 20 °C / 7500.75 Torr / Autoclave
View Scheme
2-(4’-ethylbenzoyl)benzoic acid
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

Methyltriphenylphosphonium bromide
1779-49-3

Methyltriphenylphosphonium bromide

2-(1-(4-ethylphenyl)vinyl)benzoic acid

2-(1-(4-ethylphenyl)vinyl)benzoic acid

Conditions
ConditionsYield
Stage #1: Methyltriphenylphosphonium bromide With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.5h; Inert atmosphere;
Stage #2: 2-(4’-ethylbenzoyl)benzoic acid In tetrahydrofuran at 0 - 20℃; for 36h; Inert atmosphere;

2-(4-Ethylbenzoyl)benzoic acid Specification

The 2-(4-Ethylbenzoyl)benzoic acid, with the CAS registry number of 1151-14-0, is also known as o-(p-Ethylbenzoyl)benzoic acid. Its EINECS registry number is 214-566-3. This chemical's molecular formula is C16H14O3 and molecular weight is 254.28. What's more, its IUPAC name is 2-(4-Ethylbenzoyl)benzoic acid.

Physical properties about the 2-(4-Ethylbenzoyl)benzoic acid are: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1.37; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.71; (8)ACD/KOC (pH 7.4): 1.17; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 72.52 cm3; (15)Molar Volume: 212.8 cm3; (16)Surface Tension: 49.8 dyne/cm; (17)Density: 1.194 g/cm3; (18)Flash Point: 245.9 °C; (19)Enthalpy of Vaporization: 75.87 kJ/mol; (20)Boiling Point: 459.6 °C at 760 mmHg; (21)Vapour Pressure: 3.06E-09 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 4-(4-Ethyl-phenyl)-2H-phthalazin-1-oneat. This reaction needs reagent N2H4*H2O. Meanwhile, it needs solvent Ethanol. The reaction time is 5 hours. The yield is about 89 %.


You can still convert the following datas into molecular structure:
(1) SMILES:O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC
(2) InChI:InChI=1/C16H14O3/c1-2-11-7-9-12(10-8-11)15(17)13-5-3-4-6-14(13)16(18)19/h3-10H,2H2,1H3,(H,18,19)
(3) InChIKey:JZFDKGFWNSQAHU-UHFFFAOYAQ

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