2-(4-Fluorobenzoyl)benzoic acid supplier

Name
2-(4-Fluorobenzoyl)benzoic acid
EINECS 231-604-4
CAS No. 7649-92-5
Article Data11
CAS DataBase
Density 1.325 g/cm³
Solubility
Melting Point 138-140 °C(lit.)
Formula C₁₄H₉FO₃
Boiling Point 443.1 °C at 760 mmHg
Molecular Weight 244.222
Flash Point 221.7 °C
Transport Information
Appearance solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-fluorobenzoyl)benzoic acid (IM OCS);
PSA 54.37000
LogP 2.75490

Synthetic route

: 85-44-9
phthalic anhydride

: 462-06-6
fluorobenzene

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

Conditions

Conditions	Yield
With aluminum (III) chloride at 20℃; Friedel-Crafts Acylation; Heating;	97%
With sodium carbonate In dichloromethane at 20℃; for 0.2h; Reagent/catalyst; Solvent; Temperature; Friedel-Crafts Acylation;	94.6%
With aluminum (III) chloride at 75℃; for 3h; Friedel Crafts Acylation;	85%

: 85-44-9
phthalic anhydride

: 352-13-6
4-flourophenylmagnesium bromide

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

Conditions

Conditions	Yield
Stage #1: phthalic anhydride; 4-flourophenylmagnesium bromide In tetrahydrofuran at 30℃; for 1h; Stage #2: With hydrogenchloride In water; toluene at 35℃; for 1h;	69%

: 2251-76-5
2-(4-fluorophenyl)-2-oxoacetic acid

: 65-85-0
benzoic acid

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; silver carbonate In 1,2-dimethoxyethane at 150℃; for 24h; Sealed tube; chemoselective reaction;	62%

: 85-44-9
phthalic anhydride

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

Conditions

Conditions	Yield
With hydrogenchloride; aluminium chloride In fluorobenzene; hexane; benzene	33.5 parts (80.7%)
With hydrogenchloride; aluminium chloride In fluorobenzene; hexane; benzene	33.5 parts (80.7%)

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 92260-98-5
3-chloro-3-(para-fluorophenyl)-1-(3H)-isobenzofuranone

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl-formamide In tetrahydrofuran at 20℃; for 4h; Inert atmosphere;	100%
With thionyl chloride for 5h; Heating;
With thionyl chloride for 2h; Reflux;
With thionyl chloride; N,N-dimethyl-formamide In tetrahydrofuran at 20℃; for 4h; Inert atmosphere;

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 120-80-9
benzene-1,2-diol

: 1401216-80-5
C20H13FO4

Conditions

Conditions	Yield
With sulfuric acid at 85 - 95℃; for 2h;	88.1%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 1766-63-8
4-(4-fluoro-phenyl)-2H-phthalazin-1-one

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol for 5h; Heating;	86%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 122365-23-5
N-[(diphenylphosphinoyl)methyl]-N-methylamine

: 175857-54-2
N-diphenylphosphinoylmethyl-N-methyl-2-(4-fluorobenzoyl)benzamide

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 2h; Ambient temperature;	85%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 372-09-8
cyanoacetic acid

: cyanomethyl 2-(4-fluorobenzoyl)benzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; sodium acetate; tetra-(n-butyl)ammonium iodide In tetrahydrofuran; water at 80℃; for 12h;	85%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 346-47-4
2-(4'-fluorobenzyl)benzoic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol at 70℃; under 15200 Torr; for 12h;	83%
With hydrogen; palladium on activated charcoal In methanol at 70℃; under 15200 Torr; for 12h;	83%
With hydrogen; palladium 10% on activated carbon In propylene glycol monomethyl ether at 50℃; for 18h;	83%
With sodium hydroxide; coppered zinc
With ammonium hydroxide; zinc

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 108-46-3
recorcinol

: 1401216-78-1
3-(2,4-dihydroxyphenyl)-3-(4-fluorophenyl)phthalide

Conditions

Conditions	Yield
With sulfuric acid at 110 - 120℃; for 1h;	78.9%

: 576-26-1
2.6-dimethylphenol

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 2-[4-(2,6-dimethylphenoxy)benzoyl]benzoic acid

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl acetamide; chlorobenzene at 185℃; for 17h; Inert atmosphere;	77%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 123-31-9
hydroquinone

: 1401216-82-7
3-(2,5-dihydroxyphenyl)-3-(4-fluorophenyl)phthalide

Conditions

Conditions	Yield
With sulfuric acid at 135 - 145℃; for 2h;	73.3%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 6945-92-2
2-hydrazinyl acetic acid ethyl ester hydrochloride

: 132544-81-1
[4-(4-Fluoro-phenyl)-1-oxo-1H-phthalazin-2-yl]-acetic acid ethyl ester

Conditions

Conditions	Yield
With TEA In ethanol Heating;	72%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 1514-15-4
3-fluoro-9-fluorenone

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; silver(I) acetate In [D3]acetonitrile at 130℃; for 1h; Pschorr reaction; Microwave irradiation;	70%
Multi-step reaction with 4 steps 1: H2SO4 2: NH3 3: Br2, aq. KOH 4: NaNO2, aq. H2SO4 View Scheme

: 1246464-10-7
2-hydrazinyl-3-(2-(trifluoromethyl)phenyl)-1,8-naphthyridine

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 4-(4-fluorophenyl)-2-(3-(2-(trifluoromethyl)phenyl)-1,8-naphthyridin-2-yl)phthalazin-1(2H)-one

Conditions

Conditions	Yield
With sulfuric acid In ethanol for 0.25h; Green chemistry;	70%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 108-95-2
phenol

: 1401216-76-9
3-(4-hydroxyphenyl)-3-(4-fluorophenyl)phthalide

Conditions

Conditions	Yield
With sulfuric acid at 80 - 90℃; for 5h;	69.2%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 154-09-6, 526-53-4, 2899-29-8, 52485-52-6
L-tryptophanol

: (3S,9bR)-3-((1H-indol-3-yl)methyl)-9b-(4-fluorophenyl)-2,3-dihydrooxazolo[2,3-a]isoindol-5(9bH)-one

Conditions

Conditions	Yield
In toluene for 23h; Reflux; Inert atmosphere; Dean-Stark;	65.9%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 100-63-0
phenylhydrazine

: 82819-83-8
1-oxo-2-phenyl-4-p-fluorophenyl-1,2-dihydrophthalazine

Conditions

Conditions	Yield
With acetic acid at 100℃; for 2h;	60%
In acetic acid for 2h; on a boiling water bath; Yield given;

: 108-73-6
3,5-dihydroxyphenol

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 1401216-84-9
3-(2,4,6-trihydroxyphenyl)-3-(4-fluorophenyl)phthalide

Conditions

Conditions	Yield
With sulfuric acid at 170 - 180℃; for 1h;	59.3%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 877-66-7
4-(methylsulfonyl)phenylhydrazine

: 4-(4-fluorophenyl)-2-[4-(methylsulfonyl)phenyl]phthalazin-1(2H)-one

Conditions

Conditions	Yield
In ethanol Reflux;	58.7%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 87-66-1
2-hydroxyresorcinol

: 1401216-86-1
C20H13FO5

Conditions

Conditions	Yield
With sulfuric acid at 115 - 125℃; for 0.5h;	58.5%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 1401216-75-8
2-(3,5-dinitro-4-fluorobenzoyl)benzoic acid

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at 40 - 50℃; for 1h;	57.5%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 1779-49-3
Methyltriphenylphosphonium bromide

: 2-(1-(4-fluorophenyl)vinyl)benzoic acid

Conditions

Conditions	Yield
Stage #1: Methyltriphenylphosphonium bromide With sodium t-butanolate In tetrahydrofuran at 0℃; for 0.5h; Inert atmosphere; Stage #2: 2-(4-fluorobenzoyl)benzoic acid In tetrahydrofuran at 0 - 20℃; for 41h; Inert atmosphere;	57%
Stage #1: Methyltriphenylphosphonium bromide With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.5h; Wittig Olefination; Inert atmosphere; Stage #2: 2-(4-fluorobenzoyl)benzoic acid In tetrahydrofuran at 0℃; Wittig Olefination; Inert atmosphere;	17%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 154-09-6, 526-53-4, 2899-29-8, 52485-52-6
(2R)-2-amino-3-(1H-indol-3-yl)propan-1-ol

: (3R,9bS)-3-((1H-indol-3-yl)methyl)-9b-(4-fluorophenyl)-2,3-dihydrooxazolo[2,3-a]isoindol-5(9bH)-one

Conditions

Conditions	Yield
In toluene for 16.5h; Reflux; Inert atmosphere; Dean-Stark;	56%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 107-15-3
ethylenediamine

: 5964-48-7
9b-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5(9bH)-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 4h; Dean-Stark; Inert atmosphere; Reflux;	55.5%
In 5,5-dimethyl-1,3-cyclohexadiene Reflux; Dean-Stark;

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 151-50-8
potassium cyanide

: 336194-57-1
1-(4-fluorophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-carboxamide

Conditions

Conditions	Yield
With acetic acid at 115 - 125℃; for 48h;	50%

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 108-39-4
3-methyl-phenol

A: 148238-44-2
3-(4-fluorophenyl)-3-(2-hydroxy-4-methylphenyl)phthalide

B: 148238-45-3
3-(4-fluorophenyl)-3-(4-hydroxy-2-methylphenyl)phthalide

Conditions

Conditions	Yield
With zinc(II) chloride at 115 - 120℃; for 8h;	A 32% B 48%

...Expand

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 108-24-7
acetic anhydride

: C16H10FNO6

Conditions

Conditions	Yield
With nitric acid; acetic acid at 4 - 20℃; for 3h;	46%

: 67-56-1
methanol

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

: 341-57-1
methyl 2-(4-fluorobenzoyl)benzoate

Conditions

Conditions	Yield
With sulfuric acid

: 7649-92-5
2-(4-fluorobenzoyl)benzoic acid

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

: 85-57-4
2-(4-hydroxy-benzoyl)-benzoic acid

2-(4-Fluorobenzoyl)benzoic acid Specification

This chemical is called 2-(4-Fluorobenzoyl)benzoic acid, and it's also named as benzoic acid, 2-(4-fluorobenzoyl)-. With the molecular formula of C₁₄H₉FO₃, its molecular weight is 244.2179. The CAS registry number of this chemical is 7649-92-5. Additionally, its product categories are C13 to C42+; Carbonyl Compounds; Carboxylic Acids. However, keep this chemical in the cool and dry place where there is no oxides and the room is ventilated.

Other characteristics of the 2-(4-Fluorobenzoyl)benzoic acid can be summarised as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): -0.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.81; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 ?2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 62.96 cm³; (15)Molar Volume: 184.2 cm³; (16)Polarizability: 24.96×10^-24cm³; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.325 g/cm³; (19)Flash Point: 221.7 °C; (20)Enthalpy of Vaporization: 73.84 kJ/mol; (21)Boiling Point: 443.1 °C at 760 mmHg; (22)Vapour Pressure: 1.25E-08 mmHg at 25°C.

Uses of this chemical: The 2-(4-Fluorobenzoyl)benzoic acid could react with phenylhydrazine to obtain the 1-oxo-2-phenyl-4-p-fluorophenyl-1,2-dihydrophthalazine. This reaction needs the reagent of acetic acid. The yield is 60 %. In addition, this reaction should be taken for 2 hours at the temperature of 100 °C.

The 2-(4-Fluorobenzoyl)benzoic acid could react with phenylhydrazine to obtain the 1-oxo-2-phenyl-4-p-fluorophenyl-1,2-dihydrophthalazine

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccc(F)cc1)c2ccccc2C(=O)O
2.InChI: InChI=1/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
3.InChIKey: FJAZVXUPZQSZKI-UHFFFAOYAJ

Product Name

2-(4-Fluorobenzoyl)benzoic acid

Synthetic route

2-(4-Fluorobenzoyl)benzoic acid Specification

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