4-Propoxybenzoic acid supplier

Name
4-Propoxybenzoic acid
EINECS
CAS No. 5438-19-7
Article Data151
CAS DataBase
Density 1.133 g/cm³
Solubility insoluble in water
Melting Point 144-146 °C(lit.)
Formula C₁₀H₁₂O₃
Boiling Point 304.9 °C at 760 mmHg
Molecular Weight 180.203
Flash Point 119.3 °C
Transport Information
Appearance White to light yellow crystal powder
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoicacid, p-propoxy- (6CI,7CI,8CI);NSC 16632;p-(n-Propoxy)benzoic acid;p-Propoxybenzoic acid;
PSA 46.53000
LogP 2.17360

Synthetic route

: 115478-59-6
methyl 4-propoxy benzoate

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
Stage #1: methyl 4-propoxy benzoate With sodium hydroxide In methanol at 60 - 65℃; for 3h; Stage #2: With hydrogenchloride In methanol; water	98.9%
With alkali

: 5736-85-6
4-propoxybenzaldehyde

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
Stage #1: 4-propoxybenzaldehyde In water; acetonitrile at 5℃; for 0.25h; Stage #2: With potassium permanganate In water; acetonitrile at 20℃; for 2h;	89%
With potassium permanganate; sodium dihydrogenphosphate; ammonium cerium (IV) nitrate In water at 20℃; for 3h;

: 27914-60-9
4-allyloxybenzoic acid

A: 5438-19-7
4-propoxybenzoic acid

B: 99-96-7
4-hydroxy-benzoic acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol at 20℃; for 10h;	A 3% B 82%

: 99-96-7
4-hydroxy-benzoic acid

propyl halide: propyl halide

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethanol Heating;	80%
With potassium hydroxide In methanol
With potassium hydroxide In methanol Reflux;
In methanol

: 106-94-5
propyl bromide

: 99-96-7
4-hydroxy-benzoic acid

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethanol; water for 15h; Reflux;	70%
With potassium hydroxide
With potassium hydroxide; Aliquat 336 1.) 80 deg C, 24 h; 2.) ethanol, 80 deg C, 24 h; Multistep reaction;

: 71-23-8
propan-1-ol

: p-carboxybenzene diazonium nitrate

: 5438-19-7
4-propoxybenzoic acid

: 622-85-5
propoxybenzene

: 463-72-9
carbamic chloride

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
With carbon disulfide; aluminium trichloride durch Verseifen des entstandenen Amids mit NaNO2 in verd. Schwefelsaeure;

: 100256-94-8
4-propoxy-benzoic acid ethyl ester

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide
With potassium hydroxide
With potassium hydroxide In ethanol Hydrolysis;
Stage #1: 4-propoxy-benzoic acid ethyl ester With sodium hydroxide In ethanol at 20℃; for 3h; Stage #2: With hydrogenchloride; water In ethanol pH=1;
With ethanol; sodium hydroxide

: 106-94-5
propyl bromide

: 99-76-3
methyl 4-hydroxylbenzoate

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
With potassium carbonate; butanone Erwaermen des Reaktionsprodukts mit methanol. Kalilauge;
With hydrogenchloride; potassium hydroxide; sodium hydroxide In ethanol; water; dimethyl sulfoxide
With potassium carbonate In acetone for 48h; Reflux;	2.20 g

: 106-94-5
propyl bromide

: 16782-08-4
sel de potassium de l'acide p-hydroxybenzoique

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
In ethanol Heating;

: C43H30N2O8*C10H12O3

A: 5438-19-7
4-propoxybenzoic acid

B: 104663-68-5
C43H30N2O8

Conditions

Conditions	Yield
In chloroform-d1 Equilibrium constant;

: 71-23-8
propan-1-ol

1-carboxy-benzenediazonium nitrate-(4): 1-carboxy-benzenediazonium nitrate-(4)

: 5438-19-7
4-propoxybenzoic acid

: 120-47-8
Ethyl 4-hydroxybenzoate

(+-)-methylphosphonic acid ethyl ester chloride: (+-)-methylphosphonic acid ethyl ester chloride

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaOEt / 3 h / Heating 2: KOH / ethanol View Scheme

: 99-96-7
4-hydroxy-benzoic acid

source of vinyl group: source of vinyl group

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: conc. H2SO4 / Heating 2: NaOEt / 3 h / Heating 3: KOH / ethanol View Scheme

: 99-76-3
methyl 4-hydroxylbenzoate

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) NaH / 1.) THF, 0 deg C, 2.) reflux, 4 h View Scheme
Multi-step reaction with 2 steps 1: sodium methylate 2: alkali View Scheme
Multi-step reaction with 2 steps 1: potassium hydroxide / methanol / Reflux 2: potassium hydroxide / ethanol; water / 2 h / Reflux View Scheme

: 120-47-8
Ethyl 4-hydroxybenzoate

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium ethylate; ethanol 2: ethanolic KOH-solution View Scheme
Multi-step reaction with 2 steps 1: sodium ethylate; ethanol 2: aq. NaOH solution View Scheme
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide 2: sodium hydroxide; ethanol View Scheme

: 99-96-7
4-hydroxy-benzoic acid

1-halidopropane: 1-halidopropane

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
Stage #1: 4-hydroxy-benzoic acid; 1-halidopropane With potassium hydroxide In methanol Reflux; Stage #2: With water; potassium hydroxide In methanol Reflux;

: 99-96-7
4-hydroxy-benzoic acid

n-propyl halide: n-propyl halide

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol
With potassium hydroxide In methanol Reflux;
With potassium hydroxide In ethanol for 8h; Reflux;
In methanol

: 99-96-7
4-hydroxy-benzoic acid

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol Reflux;
With potassium hydroxide In methanol
Multi-step reaction with 3 steps 1: sulfuric acid / 1 h / Reflux 2: potassium hydroxide / methanol / Reflux 3: potassium hydroxide / ethanol; water / 2 h / Reflux View Scheme

: 99-96-7
4-hydroxy-benzoic acid

propyl derivative: propyl derivative

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol Reflux;
With potassium hydroxide In methanol

: 99-96-7
4-hydroxy-benzoic acid

propylating agent: propylating agent

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol Reflux;

: 99-96-7
4-hydroxy-benzoic acid

alkyl halide: alkyl halide

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol Reflux;

: 99-96-7
4-hydroxy-benzoic acid

1-halopropane: 1-halopropane

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol

: 540-54-5
1-Chloropropane

: 99-96-7
4-hydroxy-benzoic acid

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
With dmap; sodium carbonate In N,N-dimethyl-formamide for 12h; Reflux;

: 123-08-0
4-hydroxy-benzaldehyde

: 5438-19-7
4-propoxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 80 °C 2: potassium permanganate; sodium dihydrogenphosphate; ammonium cerium (IV) nitrate / water / 3 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1.1: potassium carbonate / N,N-dimethyl-formamide / 8 h / 80 °C 2.1: sodium phosphate / acetonitrile; water / 0.25 h / 5 °C 2.2: 2 h / 20 °C View Scheme

: 5438-19-7
4-propoxybenzoic acid

: 2-(piperidin-1-ylmethyl)-1H-benzo[d]imidazol-5-amine

: N-(2-(piperidin-1-ylmethyl)-1H-benzo[d]imidazol-5-yl)-4-propoxybenzamide

Conditions

Conditions	Yield
With N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane for 16h;	92%

: 123-91-1
1,4-dioxane

: 5438-19-7
4-propoxybenzoic acid

: 1597710-63-8
1,4-dioxan-2-yl 4-propoxybenzoate

Conditions

Conditions	Yield
With iron(III)-acetylacetonate; di-tert-butyl peroxide at 120℃; for 24h; Schlenk technique;	91%

: 5438-19-7
4-propoxybenzoic acid

: 100-83-4
meta-hydroxybenzaldehyde

: 3-formylphenyl 4-propoxybenzoate

Conditions

Conditions	Yield
Stage #1: 4-propoxybenzoic acid; meta-hydroxybenzaldehyde With dmap In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: With dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 20℃;	90.1%

: 67-56-1
methanol

: terbium(III) nitrate hexahydrate

: 5438-19-7
4-propoxybenzoic acid

: [Tb(4-ethoxybenzoate)2(NO3)](CH3OH)2]n

Conditions

Conditions	Yield
With sodium hydroxide In methanol acid-compd. and 1 equiv. of NaOH were stirred in MeOH at room temp. for 30 min, 1/3 equiv. of metal-nitrate was added in MeOH, 1 d, stirring forfurther 12 h; ppt. was filtered off and washed with MeOH, elem. anal.;	90%

...Expand

: 5438-19-7
4-propoxybenzoic acid

: 123-08-0
4-hydroxy-benzaldehyde

: 56800-28-3
4-formylphenyl 4-propyloxybenzoate

Conditions

Conditions	Yield
Stage #1: 4-propoxybenzoic acid; 4-hydroxy-benzaldehyde With dmap In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: With dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 20℃;	87.1%
In chloroform
With dicyclohexyl-carbodiimide In dichloromethane at 20℃;

: 5438-19-7
4-propoxybenzoic acid

: 848478-61-5
1-(4-hydroxyphenyl)-3-hydroxyoctan-1-one

: 4-(3-hydroxyoctanoyl)phenyl 4-propoxybenzoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 23h;	87%

: 102-71-6
triethanolamine

: 5438-19-7
4-propoxybenzoic acid

: 1440507-27-6
tris[2-(4-propyloxybenzoyloxy)ethyl]amine

Conditions

Conditions	Yield
Stage #1: triethanolamine; 4-propoxybenzoic acid In chloroform for 0.166667h; Stage #2: With dmap; dicyclohexyl-carbodiimide In chloroform for 12h;	85%

: 118712-54-2
glycidyl p-toluenesulfonate

: 5438-19-7
4-propoxybenzoic acid

: oxiran-2-ylmethyl 4-propoxybenzoate

Conditions

Conditions	Yield
Stage #1: 4-propoxybenzoic acid With potassium hydroxide In methanol; isopropyl alcohol at 20℃; for 1h; Stage #2: glycidyl p-toluenesulfonate In N,N-dimethyl-formamide at 70℃; for 7h;	83%

: 5438-19-7
4-propoxybenzoic acid

: 2-bromoethyl (E)-2-bromoethyl 3-(4-hydroxyphenyl)acrylate

: C21H21BrO5

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 16h;	82%

: 5438-19-7
4-propoxybenzoic acid

: (E)-2-methoxyethyl 3-(4-hydroxyphenyl)acrylate

: C22H24O6

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 16h;	82%

: 5438-19-7
4-propoxybenzoic acid

: 848478-63-7
1-(4-hydroxyphenyl)-3-chlorooctan-1-one

: 4-(3-chlorooctanoyl)phenyl 4-propoxybenzoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;	81%

: 67-56-1
methanol

: gadolinium(III) nitrate hexahydrate

: 5438-19-7
4-propoxybenzoic acid

: [Gd(4-ethoxybenzoate)2(NO3)](CH3OH)2]n

Conditions

Conditions	Yield
With sodium hydroxide In methanol acid-compd. and 1 equiv. of NaOH were stirred in MeOH at room temp. for 30 min, 1/3 equiv. of metal-nitrate was added in MeOH, 1 d, stirring forfurther 12 h; ppt. was filtered off and washed with MeOH, elem. anal.;	81%

...Expand

: 5438-19-7
4-propoxybenzoic acid

: potassium (E)-trifluoro(hex-1-enyl)borate

: 1440548-48-0
(E)-hex-1-enyl 4-propoxybenzoate

Conditions

Conditions	Yield
With dmap; oxygen; copper(I) bromide In acetonitrile at 60℃; for 24h; Chan-Lam Coupling; Molecular sieve; stereospecific reaction;	81%

: 1450-72-2
5-methyl-2-hydroxyacetophenone

: 5438-19-7
4-propoxybenzoic acid

: 4-propoxybenzoic acid 2-acetyl-4-methylphenyl ester

Conditions

Conditions	Yield
Stage #1: 5-methyl-2-hydroxyacetophenone; 4-propoxybenzoic acid With pyridine at 20℃; for 0.166667h; Stage #2: With trichlorophosphate at 0 - 10℃; for 3h;	81%

: 5438-19-7
4-propoxybenzoic acid

: (E)-2-(2-methoxyethoxy)ethyl 3-(4-hydroxyphenyl)acrylate

: C24H28O7

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 15h;	81%

: 5438-19-7
4-propoxybenzoic acid

: 115914-43-7
bis{1,9-(4-hydroxyphenyl)nonane}

: nonane-1,9-diyl bis(4,1-phenylene) bis(4-propoxybenzoate)

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane Steglich Esterification;	80.4%

: 914784-11-5
3-(4-hydroxyphenyl)-5-pentylisoxazole

: 5438-19-7
4-propoxybenzoic acid

: 4-(5-pentylisoxazol-3-yl)phenyl 4-propoxybenzoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane	79%

: 3164-06-5
2-(3-hydroxyphenyl)-1,3-benzoxazole

: 5438-19-7
4-propoxybenzoic acid

: 3-(benzo[d]oxazol-2-yl)phenyl 4-propoxybenzoate

Conditions

Conditions	Yield
Stage #1: 4-propoxybenzoic acid With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran at 20℃; for 0.25h; Stage #2: 2-(3-hydroxyphenyl)-1,3-benzoxazole In tetrahydrofuran at 20℃; for 3h;	79%

: 5438-19-7
4-propoxybenzoic acid

: 627-30-5
1-chloro-3-hydroxypropane

: 3-chloropropyl 4-propoxybenzoate

Conditions

Conditions	Yield
Stage #1: 4-propoxybenzoic acid; 1-chloro-3-hydroxypropane With dmap In N,N-dimethyl-formamide at 20℃; for 0.166667h; Steglich Esterification; Stage #2: With dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 20℃; for 6h; Steglich Esterification;	76.2%

: 443682-63-1
(R)-4-hydroxy-1-(3-ethyl-1-methylpentyloxycarbonyl)benzene

: 5438-19-7
4-propoxybenzoic acid

: (R)-4-(3-ethyl-1-methylpentyloxycarbonyl)phenyl-4-n-propyloxybenzoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 12h;	76%

: 5438-19-7
4-propoxybenzoic acid

: 4-[((5-(4-nitrophenyl)furan-2-yl)methylene)amino]phenol

: 4-[((5-(4-nitrophenyl)furan-2-yl)methylene)amino]phenyl 4-propoxybenzoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 25℃; for 168h;	74%

: 5438-19-7
4-propoxybenzoic acid

: 77103-47-0
ethyl (4-hydroxybenzoyl)acetate

: 1462352-06-2
ethyl 3-[4-(4'-propoxy)benzoyloxyphenyl]-3-oxo-propanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 25h;	73%

: 67-56-1
methanol

: europium(III) nitrate hexahydrate

: 5438-19-7
4-propoxybenzoic acid

: [Eu(4-ethoxybenzoate)2(NO3)](CH3OH)2]n

Conditions

Conditions	Yield
With sodium hydroxide In methanol acid-compd. and 1 equiv. of NaOH were stirred in MeOH at room temp. for 30 min, 1/3 equiv. of metal-nitrate was added in MeOH, 1 d, stirring forfurther 12 h; ppt. was filtered off and washed with MeOH, elem. anal.;	72%

...Expand

: 5438-19-7
4-propoxybenzoic acid

: 551-93-9
2-aminoacetophenone

: 1319210-02-0
N-(2-acetylphenyl)-4-propoxybenzamide

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 70℃; for 3h;	72%

: 5438-19-7
4-propoxybenzoic acid

: (E)-7-hydroxy-3-(3-(4-hydroxyphenyl)acryloyl)–2H-chromen-2-one

: (E)-4-(3-(7-((4-(propoxy)benzoyl)oxy)-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl)phenyl 4-(propoxy)benzoate

Conditions

Conditions	Yield
Stage #1: 4-propoxybenzoic acid With benzotriazol-1-ol; triethylamine In dichloromethane; 1,2-dichloro-ethane at 0 - 5℃; Stage #2: (E)-7-hydroxy-3-(3-(4-hydroxyphenyl)acryloyl)–2H-chromen-2-one In dichloromethane at 0 - 5℃; for 0.5h; Stage #3: In dichloromethane at 20℃; for 20h;	72%

: 5438-19-7
4-propoxybenzoic acid

: 1017029-32-1
N-(2-aminoethyl)benzofuran-2-carboxamide

: 1397262-86-0
N-(2-(4-propoxybenzamido)ethyl)benzofuran-2-carboxamide

Conditions

Conditions	Yield
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 20h; Inert atmosphere;	71%

4-Propoxybenzoic acid Specification

The Benzoic acid,4-propoxy-, with the CAS registry number 5438-19-7, has the systmatic name of 4-propoxybenzoic acid. And the molecular formula of this chemical is C₁₀H₁₂O₃. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Organic acids; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Benzoic Acids (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; Building blockCarbonyl Compounds; C10; Carboxylic Acids; Liquid Crystals; Organic Electronics and Photonics. What's more, it is used as the intermediates of liquid crystals.

The physical properties of Benzoic acid,4-propoxy- are as following: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 10.35; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 93.1; (8)ACD/KOC (pH 7.4): 2.02; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 49.12 cm³; (15)Molar Volume: 158.9 cm³; (16)Polarizability: 19.47×10^-24cm³; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.133 g/cm³; (19)Flash Point: 119.3 °C; (20)Enthalpy of Vaporization: 57.58 kJ/mol; (21)Boiling Point: 304.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000372 mmHg at 25°C.

Preparation of Benzoic acid,4-propoxy-: This chemical can be prepared by 4-allyloxy-benzoic acid, and the other product is 4-hydroxy-benzoic acid. The reaction will need reagent KOH, and the solvent methanol. The reaction time is 10 hours with temperature of 20°C, and the yield is about 82%.
Benzoic acid,4-propoxy- can be prepared by 4-allyloxy-benzoic acid, and the other product is 4-hydroxy-benzoic acid

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(OCCC)cc1
(2)InChI: InChI=1/C10H12O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
(3)InChIKey: GDFUWFOCYZZGQU-UHFFFAOYAE

Product Name

4-Propoxybenzoic acid

Synthetic route

4-Propoxybenzoic acid Specification

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