CAS No.1151-14-0,2-(4-Ethylbenzoyl)benzoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1151-14-0
Name:	2-(4-Ethylbenzoyl)benzoic acid
Article Data:	18

Formula:	C₁₆H₁₄O₃
Molecular Weight:	254.285
Synonyms:	o-(p-Ethylbenzoyl)benzoic acid;
EINECS:	214-566-3
Density:	1.194 g/cm³
Boiling Point:	459.6 °C at 760 mmHg
Flash Point:	245.9 °C
PSA:	54.37000
LogP:	3.17820

Synthetic route

: 85-44-9
phthalic anhydride

: 100-41-4
ethylbenzene

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

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In ethanol Reflux;	30.5%

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

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

Conditions

Conditions	Yield
With sodium hydroxide; copper(I) sulfate; zinc
palladium In N-methyl-acetamide; water; acetic acid

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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