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2-(4-Ethylbenzoyl)benzoic acid

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Name

2-(4-Ethylbenzoyl)benzoic acid

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

o-(p-Ethylbenzoyl)benzoic acid;

Article Data 18

2-(4-Ethylbenzoyl)benzoic acid Synthetic route

85-44-9

phthalic anhydride

100-41-4

ethylbenzene

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%
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

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%
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

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

Conditions
ConditionsYield
With hydrazine hydrate In ethanol for 5h; Heating;89%
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

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%
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

818-08-6

di(n-butyl)tin oxide

bis(dicarboxylatotetrabutyldistannoxane)

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

phenylstannoic acid

1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

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

Conditions
ConditionsYield
In toluene for 8h; Reflux; Dean-Stark;67.1%
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

877-66-7

4-(methylsulfonyl)phenylhydrazine

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

Conditions
ConditionsYield
In ethanol Reflux;42.6%
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

1966-16-1

5-chloro-2-nitrophenylhydrazine

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%
1151-14-0

2-(4’-ethylbenzoyl)benzoic acid

17852-52-7, 27918-19-0

4-hydrazinobenzene-1-sulfonamide hydrochloride

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

Conditions
ConditionsYield
In ethanol Reflux;30.5%
1151-14-0

2-(4’-ethylbenzoyl)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 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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