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99-96-7

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99-96-7 Usage

General Description

p-Salicylic acid, also known as para-salicylic acid, is a colorless organic compound with the chemical formula C7H6O3. It is a derivative of salicylic acid, and is often used as a precursor in the production of various pharmaceuticals and agricultural chemicals. p-Salicylic acid is a weak acid and is commonly used in the synthesis of dyes, perfumes, and other organic compounds. It also has antibacterial and antifungal properties, making it a popular ingredient in skincare products designed to treat acne and other skin conditions. Additionally, p-Salicylic acid has been studied for its potential use in the treatment of certain types of cancer, although more research is needed to fully understand its therapeutic potential in this area.

Check Digit Verification of cas no

The CAS Registry Mumber 99-96-7 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 9 and 9 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 99-96:
(4*9)+(3*9)+(2*9)+(1*6)=87
87 % 10 = 7
So 99-96-7 is a valid CAS Registry Number.
InChI:InChI=1/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/p-1

99-96-7 Well-known Company Product Price

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  • Alfa Aesar

  • (A13700)  4-Hydroxybenzoic acid, 99%   

  • 99-96-7

  • 250g

  • 105.0CNY

  • Detail
  • Alfa Aesar

  • (A13700)  4-Hydroxybenzoic acid, 99%   

  • 99-96-7

  • 1000g

  • 370.0CNY

  • Detail
  • Alfa Aesar

  • (A13700)  4-Hydroxybenzoic acid, 99%   

  • 99-96-7

  • 5000g

  • 1571.0CNY

  • Detail
  • Sigma-Aldrich

  • (PHR1048)  4-Hydroxybenzoicacid  pharmaceutical secondary standard; traceable to USP

  • 99-96-7

  • PHR1048-1G

  • 732.19CNY

  • Detail
  • USP

  • (1609013)  Salicylic acid Related Compound A  United States Pharmacopeia (USP) Reference Standard

  • 99-96-7

  • 1609013-100MG

  • 14,578.20CNY

  • Detail
  • Sigma-Aldrich

  • (92596)  4-Hydroxybenzoicacid  certified reference material, TraceCERT®

  • 99-96-7

  • 92596-50MG

  • 861.12CNY

  • Detail

99-96-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Hydroxybenzoic acid

1.2 Other means of identification

Product number -
Other names Benzoic acid,4-hydroxy-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:99-96-7 SDS

99-96-7Synthetic route

p-(benzyloxy)benzoic acid
1486-51-7

p-(benzyloxy)benzoic acid

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With 10% Pd/C; cyclohexa-1,4-diene In ethyl acetate at 100℃; for 0.5h; Microwave irradiation;99%
With palladium diacetate; sodium hydride In N,N-dimethyl acetamide at 25℃; for 3h; Inert atmosphere;99%
With palladium diacetate; sodium hydride In N,N-dimethyl acetamide at 50℃; for 5h; Inert atmosphere;99%
With Pd(0)EnCat; ammonium formate In N,N-dimethyl-formamide at 80℃; for 0.166667h; Irradiation; microwave;93%
With triethylammonium formate; palladium on activated charcoal for 1h; Ambient temperature;85%
4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
Stage #1: 4-amino-benzoic acid With sulfuric acid at 20℃; Cooling with ice;
Stage #2: With sodium nitrite In water Reflux;
96%
Stage #1: 4-amino-benzoic acid With sodium nitrite In water at 20℃; Milling; Green chemistry;
Stage #2: With water at 80℃; for 0.5h; Neutral conditions; Green chemistry;
71%
With mixture of gaseous nitrogen oxides; water
With sulfuric acid; sodium nitrite Erhitzen des Reaktionsgemisches;
Multi-step reaction with 2 steps
1.1: sodium nitrite; hydrogenchloride / water / 0.75 h / 4 °C / Cooling with ice
1.2: 0.5 h / 4 °C / Cooling with ice
2.1: L-tyrosine / aq. phosphate buffer / pH 7
View Scheme
(4-hydroxyphenyl)methanol
623-05-2

(4-hydroxyphenyl)methanol

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With oxygen In acetonitrile at 20℃; for 7.5h; Catalytic behavior;97%
With diethylene glycol dimethyl ether at 70℃; for 0.5h; Sonication;94%
With tert.-butylhydroperoxide; ammonium cerium (IV) nitrate In water; acetonitrile at 20℃; for 24h; chemoselective reaction;90%
methyl 4-methoxybenzoate
121-98-2

methyl 4-methoxybenzoate

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With AlBrCl3(1-)*C5H5N*H(1+) at 140℃; for 3h;93%
With iodine; aluminium In acetonitrile at 80℃; for 18h;91%
With 1-butylpyridinium bromide at 100℃; Microwave irradiation; Neat (no solvent);90%
4-(n-but-3'-enyloxy)benzoic acid
115595-27-2

4-(n-but-3'-enyloxy)benzoic acid

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With [2,2]bipyridinyl; (1,2-dimethoxyethane)dichloronickel(II); water; bis(pinacol)diborane; lithium tert-butoxide In methanol; N,N-dimethyl acetamide at 30℃; for 24h; Schlenk technique;71%
With 6,6'-dimethyl-2,2'-bipyridine; (1,2-dimethoxyethane)dichloronickel(II); bis(pinacol)diborane; lithium tert-butoxide In methanol; N,N-dimethyl acetamide; water at 30℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;71%
4-Bromobenzoic acid
586-76-5

4-Bromobenzoic acid

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With copper(I) oxide; tetra(n-butyl)ammonium hydroxide; 1,10-phenanthroline-4,7-diol In water at 110℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube; Green chemistry;99%
Stage #1: 4-Bromobenzoic acid With copper(l) iodide; cesium hydroxide; 5-bromo-2-(1H-imidazol-2-yl)pyridine In water; dimethyl sulfoxide at 100℃; for 36h; Inert atmosphere;
Stage #2: With hydrogenchloride In water; dimethyl sulfoxide pH=1 - 2; Inert atmosphere;
91%
With copper(I) oxide; 2-pyridinealdoxime; cesium hydroxide; tetrabutylammomium bromide In water at 110℃; for 48h; Inert atmosphere;87%
salicylic acid
69-72-7

salicylic acid

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With potassium hydroxide In water at 240℃; for 3h;61%
Multi-step reaction with 2 steps
1: SnCl4
2: sulfuric acid / 150 °C
View Scheme
Multi-step reaction with 2 steps
1: SnCl4
2: NaOH / durch Schmelzen
View Scheme
4-carboxyphenylboronic acid
14047-29-1

4-carboxyphenylboronic acid

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With water; oxygen; sodium sulfite at 50℃; for 1h; Green chemistry;100%
With N-ethyl-N,N-diisopropylamine In water; acetonitrile at 20℃; for 48h; Catalytic behavior; Reagent/catalyst; Irradiation; Green chemistry;99%
With N-ethyl-N,N-diisopropylamine In water; acetonitrile for 28h; Irradiation;99%
4-carboxyphenylboronic acid
14047-29-1

4-carboxyphenylboronic acid

dihydrogen peroxide
7722-84-1

dihydrogen peroxide

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With ammonium bicarbonate In water at 20℃; for 2h; Schlenk technique;97%
4-iodobenzoic acid
619-58-9

4-iodobenzoic acid

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
Stage #1: 4-iodobenzoic acid With copper(l) iodide; tetra(n-butyl)ammonium hydroxide In water at 60℃; for 24h; Inert atmosphere; Sealed tube;
Stage #2: With hydrogenchloride In water; ethyl acetate at 20℃; for 2h; Inert atmosphere; chemoselective reaction;
99%
With glycolic Acid; copper hydroxide; sodium hydroxide In water; dimethyl sulfoxide at 120℃; for 6h; Inert atmosphere; Schlenk technique;95%
With copper(I) oxide; 1D-1-O-Methyl-muco-inostol; sodium hydroxide In water at 100℃; for 6h; Reagent/catalyst;94%
4-bromobenzenecarbonitrile
623-00-7

4-bromobenzenecarbonitrile

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
Stage #1: 4-bromobenzenecarbonitrile With copper(l) iodide; 5-bromo-2-(1H-imidazol-2-yl)pyridine; water; potassium hydroxide In water; dimethyl sulfoxide; tert-butyl alcohol at 100℃; for 36h; Inert atmosphere;
Stage #2: With hydrogenchloride In water; dimethyl sulfoxide; tert-butyl alcohol pH=1 - 2; Inert atmosphere;
87%
1-(4-hydroxy-phenyl)-2-(toluene-4-sulfonyl)-ethanone
896109-71-0

1-(4-hydroxy-phenyl)-2-(toluene-4-sulfonyl)-ethanone

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With ammonium cerium (IV) nitrate; oxygen In acetonitrile at 20 - 50℃; for 4h;90%
1-amino-4-(tris(pyrazol-1-yl)methyl)benzene
1000389-71-8

1-amino-4-(tris(pyrazol-1-yl)methyl)benzene

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With sulfuric acid; sodium nitrite In water at 100℃; for 0.75h; Concentration; Cooling with ice;99.3%
4-bromophenyl acetate
1927-95-3

4-bromophenyl acetate

carbon dioxide
124-38-9

carbon dioxide

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
Stage #1: 4-bromophenyl acetate With bromobenzene; trifluoroacetic acid; cobalt(II) bromide; zinc dibromide; zinc In acetonitrile Inert atmosphere;
Stage #2: carbon dioxide With palladium diacetate; tricyclohexylphosphine In tetrahydrofuran; acetonitrile at 0℃; under 760.051 Torr; Inert atmosphere; Further stages;
97%
4-methoxycarbonylphenyl bromide
619-42-1

4-methoxycarbonylphenyl bromide

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
Stage #1: 4-methoxycarbonylphenyl bromide With copper(l) iodide; 5-bromo-2-(1H-imidazol-2-yl)pyridine; potassium hydroxide In water; dimethyl sulfoxide; tert-butyl alcohol at 120℃; for 36h; Inert atmosphere;
Stage #2: With hydrogenchloride In water; dimethyl sulfoxide; tert-butyl alcohol pH=1 - 2; Inert atmosphere;
83%
4-n-decanoyloxybenzoic acid
86960-46-5

4-n-decanoyloxybenzoic acid

A

peroxylaurinoic acid
2388-12-7

peroxylaurinoic acid

B

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With dihydrogen peroxide In water at 20℃; pH=10 - 11;A 100%
B n/a
carbon dioxide
124-38-9

carbon dioxide

sodium phenoxide
139-02-6

sodium phenoxide

A

salicylic acid
69-72-7

salicylic acid

B

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With 2,3-dimethyl-2,3-butane diol In phenol at 120℃; under 4500.45 Torr; for 1h; Autoclave;A 28.5%
B 2.9%
Stage #1: sodium phenoxide With acetylacetone at 120℃; under 4500.45 Torr; for 1h; Autoclave; Inert atmosphere;
Stage #2: carbon dioxide With water at 60℃; for 0.5h; Reagent/catalyst; Autoclave;
tetrachloromethane
56-23-5

tetrachloromethane

phenol
108-95-2

phenol

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With sodium hydroxide; copper In water at 80℃; for 6h;86.5%
With copper; β‐cyclodextrin In potassium hydroxide at 80℃; for 15h;59%
carbon dioxide
124-38-9

carbon dioxide

(p-hydroxyphenyl)boronic acid
71597-85-8

(p-hydroxyphenyl)boronic acid

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With chloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]copper(I); potassium methanolate In N,N-dimethyl acetamide at 70℃; for 24h; Schlenk technique; Sealed tube;68%
4-methoxycarbonylphenylboronic acid
99768-12-4

4-methoxycarbonylphenylboronic acid

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With tert.-butylhydroperoxide; potassium tert-butylate In water at 20 - 50℃; for 5h;47%
4-hydroxy-benzaldehyde
123-08-0

4-hydroxy-benzaldehyde

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With bis(acetylacetonate)oxovanadium; dihydrogen peroxide In acetonitrile at 20℃; for 5.3h; Reagent/catalyst;96%
With C4H11FeMo6NO24(3-)*3C16H36N(1+); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 8h; Green chemistry;95%
With surface plasmon resonance-activated silver nanocubes; air at 60℃; under 760.051 Torr; for 18h; Wavelength; Irradiation;95%
carbon dioxide
124-38-9

carbon dioxide

4-Iodophenol
540-38-5

4-Iodophenol

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With 3,4-benzo-1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene; cesium fluoride In N,N-dimethyl-formamide at 0 - 20℃; under 760.051 Torr; for 2h;70%
With copper(l) iodide; N,N,N,N,-tetramethylethylenediamine; diethylzinc In N,N-dimethyl acetamide at 70℃; under 760.051 Torr;40%
4-cyanophenol
767-00-0

4-cyanophenol

A

p-hydroxybenzamide
619-57-8

p-hydroxybenzamide

B

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With water at 140℃; for 6h; Sealed tube;A 92%
B 8%
4-acetoxycinnamic acid amide

4-acetoxycinnamic acid amide

A

4-acetyloxy-benzoic acid
2345-34-8

4-acetyloxy-benzoic acid

B

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
Stage #1: 4-acetoxycinnamic acid amide With oxygen; ozone; acetic acid In water at 0 - 10℃; for 2h;
Stage #2: With dihydrogen peroxide In water at 15 - 90℃; for 2h;
A 59%
B 36%
para-coumaric acid
7400-08-0

para-coumaric acid

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
Stage #1: para-coumaric acid With oxygen; ozone; acetic acid In water at 0 - 10℃; for 1.16667h;
Stage #2: With dihydrogen peroxide In water at 15 - 95℃; for 3h;
16%
With potassium hydroxide fusion;
C16H16O4S

C16H16O4S

A

4-hydroxyphenylacetate
156-38-7

4-hydroxyphenylacetate

B

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With ammonium cerium (IV) nitrate; oxygen In acetonitrile at 20 - 50℃; for 4h;A 45%
B 40%
4-hydroxycinnamic acid amide

4-hydroxycinnamic acid amide

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
Stage #1: 4-hydroxycinnamic acid amide With oxygen; ozone; acetic acid In water at 0 - 10℃; for 2.5h;
Stage #2: With dihydrogen peroxide In water at 15 - 95℃; for 4h;
37%
3-(4-acetoxyphenyl)acrylic acid
27542-85-4, 50363-92-3, 15486-19-8

3-(4-acetoxyphenyl)acrylic acid

A

4-acetyloxy-benzoic acid
2345-34-8

4-acetyloxy-benzoic acid

B

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
Stage #1: 3-(4-acetoxyphenyl)acrylic acid With oxygen; ozone; acetic acid In water at 0 - 10℃; for 1.16667h;
Stage #2: With dihydrogen peroxide In water at 15 - 95℃; for 3h;
A 51%
B 30%
p-cresol
106-44-5

p-cresol

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With urea-hydrogen peroxide at 141 - 144℃; for 0.0444444h; microwave irradiation;70%
With potassium hydroxide durch Verschmelzen;
With potassium hydroxide; lead dioxide at 200 - 220℃; durch Verschmelzen;
4-Hydroxyacetophenone
99-93-4

4-Hydroxyacetophenone

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With N-bromophthalimide; mercury(II) diacetate In chloroform at 20℃; for 2h;92%
With tert.-butylhydroperoxide; rhenium(VII) oxide; acetic acid at 100℃; for 5h;40%
With copper(l) iodide; hydroxylamine hydrochloride; oxygen In dimethyl sulfoxide at 100℃; for 50h;28%
acetic anhydride
108-24-7

acetic anhydride

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

4-acetyloxy-benzoic acid
2345-34-8

4-acetyloxy-benzoic acid

Conditions
ConditionsYield
With pyridine In tetrahydrofuran; toluene at 0 - 20℃; for 16h;100%
With Sulfate; titanium(IV) oxide In cyclohexane at 81℃; for 0.166667h;98%
With lanthanum(III) nitrate at 20℃; for 0.333333h;97%
methanol
67-56-1

methanol

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

methyl 4-hydroxylbenzoate
99-76-3

methyl 4-hydroxylbenzoate

Conditions
ConditionsYield
With boron trifluoride at 65℃; for 0.333333h;100%
With sulfuric acid for 8h; Heating;100%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; Mitsunobu reaction; chemoselective reaction;100%
dimethyl sulfate
77-78-1

dimethyl sulfate

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

methyl 4-methoxybenzoate
121-98-2

methyl 4-methoxybenzoate

Conditions
ConditionsYield
With potassium carbonate In acetone for 4h; Inert atmosphere; Reflux;100%
With sodium hydroxide In water; xylene at 85℃; for 1.25h; pH=8 - 10;98.05%
With sodium hydroxide In water; xylene at 85℃; pH=8 - 10;98.05%
tert-butyldimethylsilyl chloride
18162-48-6

tert-butyldimethylsilyl chloride

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

tert-butyldimethylsilyl 4-((tert-butyldimethylsilyl)oxy)benzoate
78324-14-8

tert-butyldimethylsilyl 4-((tert-butyldimethylsilyl)oxy)benzoate

Conditions
ConditionsYield
With triethylamine In ethyl acetate at 20℃; for 1h;100%
With 1H-imidazole In N,N-dimethyl-formamide at 60℃; for 16h;100%
With 1H-imidazole In N,N-dimethyl-formamide at 60℃; for 16h;99%
sodium thiosulfate

sodium thiosulfate

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

4-hydroxy-3-iodobenzoic acid
37470-46-5

4-hydroxy-3-iodobenzoic acid

Conditions
ConditionsYield
With sodium iodide; sodium perchlorate; sodium In methanol100%
meloxicam
71125-38-7

meloxicam

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

meloxicam 4-hydroxybenzoic acid
1174325-95-1

meloxicam 4-hydroxybenzoic acid

Conditions
ConditionsYield
In tetrahydrofuran for 0.5h;100%
In tetrahydrofuran
chloromethyl methyl ether
107-30-2

chloromethyl methyl ether

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

4-(methoxymethoxy)benzoic acid
25458-44-0

4-(methoxymethoxy)benzoic acid

Conditions
ConditionsYield
Stage #1: chloromethyl methyl ether; 4-hydroxy-benzoic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 17h;
Stage #2: With potassium hydroxide In methanol at 20℃; for 3h;
Stage #3: With hydrogenchloride In water
100%
Stage #1: chloromethyl methyl ether; 4-hydroxy-benzoic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; for 24h;
Stage #2: With potassium hydroxide In methanol; water for 3h; Reflux;
110 g
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; for 24h;100 g
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; for 24h;110 g
hexamethylenetetramine
100-97-0

hexamethylenetetramine

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

3,5-diformyl-4-hydroxybenzoic acid
1384440-57-6

3,5-diformyl-4-hydroxybenzoic acid

Conditions
ConditionsYield
Stage #1: hexamethylenetetramine; 4-hydroxy-benzoic acid With trifluoroacetic acid for 72h; Reflux;
Stage #2: With water at 20 - 80℃; for 4h;
100%
With trifluoroacetic acid at 110℃; for 48h;70%
With trifluoroacetic acid at 110℃; for 48h;70%
trifluoroacetic acid
76-05-1

trifluoroacetic acid

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

3,5-diformyl-4-hydroxybenzoic acid
1384440-57-6

3,5-diformyl-4-hydroxybenzoic acid

Conditions
ConditionsYield
With hexamethylenetetraamine for 72h; Reflux; Inert atmosphere;100%
With hexamethylenetetramine at 110℃; for 48h; Darkness;70%
4-(chlorocarbonyloxy)butyl prop-2-enoate
185756-32-5

4-(chlorocarbonyloxy)butyl prop-2-enoate

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoic acid
297132-04-8

4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoic acid

Conditions
ConditionsYield
Stage #1: 4-hydroxy-benzoic acid With sodium hydroxide In water; N,N-dimethyl-formamide pH=10;
Stage #2: 4-(chlorocarbonyloxy)butyl prop-2-enoate With sodium hydroxide In water; N,N-dimethyl-formamide at 20℃; for 22h; pH=10;
100%
methyl chloroformate
79-22-1

methyl chloroformate

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

4-(methoxycarbonyloxy)benzoic acid
14180-11-1

4-(methoxycarbonyloxy)benzoic acid

Conditions
ConditionsYield
With sodium hydroxide at 20℃; Acylation;99%
With sodium hydroxide In water96%
With sodium hydroxide In water at -5 - 20℃;92%
aniline
62-53-3

aniline

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

4-hydroxybenzanilide
14121-97-2

4-hydroxybenzanilide

Conditions
ConditionsYield
With fluorosulfonyl fluoride; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 5h;99%
With tetrabutylammomium bromide; iodine; potassium hydroxide In water at 20℃; for 2.5h; Irradiation;94%
With tetrabutylammomium bromide; caesium carbonate In water at 20℃; for 0.5h; Electrochemical reaction; chemoselective reaction;93%
methyl iodide
74-88-4

methyl iodide

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

methyl 4-hydroxylbenzoate
99-76-3

methyl 4-hydroxylbenzoate

Conditions
ConditionsYield
With potassium hydrogencarbonate In N,N-dimethyl-formamide at 40℃;99%
Stage #1: 4-hydroxy-benzoic acid With sodium hydrogencarbonate In water at 20℃; for 1h;
Stage #2: methyl iodide In N,N-dimethyl-formamide at 0 - 20℃;
95%
With potassium hydroxide at 220℃; im geschlossenen Rohr;
With N'',N'''''-1,8-naphthalenediyl bis[N,N,N',N'-tetramethyl]guanidine In N,N-dimethyl-formamide at 20℃; Kinetics;
butan-1-ol
71-36-3

butan-1-ol

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

4-hydroxybenzoic acid, butyl ester
94-26-8

4-hydroxybenzoic acid, butyl ester

Conditions
ConditionsYield
With sulfuric acid In toluene Esterification; Heating;99%
With [1-(3-sulfonic acid)]propyl-3-methylimidazolium hydrogen sulfate at 125 - 135℃; for 3h;95.3%
With benzimidazole bisulfate ionic liquid Reflux;95.3%
benzyl bromide
100-39-0

benzyl bromide

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

p-(benzyloxy)benzoic acid
1486-51-7

p-(benzyloxy)benzoic acid

Conditions
ConditionsYield
With potassium hydroxide In ethanol; water for 20h; Reflux;99%
With n-Bu4POH In tetrahydrofuran; water at 0 - 20℃;94%
With potassium hydroxide In ethanol; water for 5h; Reflux;91%
4-(4-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-(4-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

[4-(4-Chlorophenyl)-4,5,6,7-tetrahydro-thieno[3,2-c]pyridin-5-yl]-(4-hydroxyphenyl)methanone

[4-(4-Chlorophenyl)-4,5,6,7-tetrahydro-thieno[3,2-c]pyridin-5-yl]-(4-hydroxyphenyl)methanone

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 24h; Substitution;99%
4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

phenol
108-95-2

phenol

Conditions
ConditionsYield
With Na-X zeolite In water at 230℃; for 2h; Reagent/catalyst; Temperature; Time; Autoclave;99%
With tetrakis(acetonitrile)palladium(II) tetrafluoroborate; 1,2-bis[di(t-butyl)phosphinomethyl]benzene In toluene at 140℃; for 5h; Autoclave;85%
With Cocos nucifera juice at 20℃; for 48h; Inert atmosphere;77%
2-amino-phenol
95-55-6

2-amino-phenol

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

2-(4-hydroxyphenyl)benzoxazole
3315-19-3

2-(4-hydroxyphenyl)benzoxazole

Conditions
ConditionsYield
boric acid In 1,2-dichloro-benzene for 18h; Heating / reflux;99%
With samarium(III) trifluoromethanesulfonate In ethanol; water at 80℃; for 4h;85%
With toluene-4-sulfonic acid In xylene for 4h; Heating;46%
benzyl chloroformate
501-53-1

benzyl chloroformate

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

4-carbobenzoxyoxybenzoic acid
14180-10-0

4-carbobenzoxyoxybenzoic acid

Conditions
ConditionsYield
With sodium hydroxide In water99%

99-96-7Relevant articles and documents

Cyclic voltammetry and computational chemistry studies on the evaluation of the redox behavior of parabens and other analogues

Gil, Eric De S.,Andrade, Carolina H.,Barbosa, Nu?sia L.,Braga, Rodolpho,Serrano, Si?lvia H. P.

, p. 565 - 572 (2012)

Parabens are antimicrobial preservatives widely used in pharmaceutical, cosmetic and food industries. The alkyl chain connected to the ester group defines some important physicochemical characteristics of these compounds, including the partition coefficient and redox properties. The voltammetric and computational analyses were carried out in order to evaluate the redox behavior of these compounds and other phenolic analogues. A strong correlation between chemical substituents inductive effects of parabens with redox potentials was observed. Using cyclic voltammetry and glassy carbon working electrode, only one irreversible anodic peak was observed around 0.8 V for methylparaben (MP), ethylparaben (EP), propylparaben (PP), butylparaben (BP), benzylparaben (BzP) and p-substituted phenolic analogues. The electrodonating inductive effect of alkyl groups was demonstrated by the anodic oxidation potential shift to lower values as the carbon number increases and, therefore the parabens (and other phenolic analogues) oxidation processes to the quinonoidic forms showed great dependence on the substituent pattern.

Structure of samferine

Eshbakova,Saidkhodzhaev

, p. 194 - 195 (2004)

-

Improved performance of titanate nanostructures for manganese adsorption and posterior pollutants photocatalytic degradation

Sousa, Sara C.A.,Cardoso,Monteiro

, p. 9 - 16 (2019)

In this work, the synthesis of novel manganese-modified titanate nanowires, with enhanced photocatalytic activity for pollutants degradation, is described. Distinct modified titanate nanowires samples were produced by manganese doping (Mn-TNT) and by Mn ion-exchange (TNW/Mn). The characterization of the samples was performed by XRD, DRS, TEM, PL and XPS. The structural characterisation indicates that Mn can be incorporated in the crystalline structure in two distinct positions: replacing some Ti4+ in the TiO6 octahedra and/or replacing Na+ in the interlayers. For the TNW/Mn sample, the Mn was found only in the interlayers. However, for Mn-TNW the metal was present in both possible positions. The produced materials demonstrate to be photo-active in a wider range of radiation then pristine TNW, even starting to absorb in the visible range. The PL and XPS results indicate a decrease on the photogenerated charge carriers recombination for the metal-containing samples. The photocatalytic performance of the modified samples was tested for the hydroxyl radical production. Both Mn modified samples (Mn-TNW and TNW/Mn) demonstrated to be catalytic for this reaction. The photocatalytic degradation of the preservative methyl-paraben, considered an emergent pollutant was also studied. For this process, the results indicate that the mechanism of degradation is dependent on the photocatalyst surface ionic character. The best photocatalytic performance was achieved by the doped Mn-TNW sample, with 62% of removal of a 10 ppm methyl-paraben aqueous solution (0.13 g catalyst/L solution), after 90 min of irradiation.

Bavachromanol: A new chalcone from the seeds of Psoralea corylifolia

Suri,Gupta,Dhar,Atal

, p. 336 - 337 (1980)

-

The catalytic mechanism of the hotdog-fold enzyme superfamily 4-hydroxybenzoyl-coa thioesterase from arthrobacter sp. Strain SU

Song, Feng,Zhuang, Zhihao,Latham, John,Dunaway-Mariano, Debra,Thoden, James B.,Holden, Hazel M.,Trujillo, Michael

, p. 7000 - 7016,17 (2012)

The hotdog-fold enzyme 4-hydroxybenzoyl-coenzyme A (4-HB-CoA) thioesterase from Arthrobacter sp. strain AU catalyzes the hydrolysis of 4-HB-CoA to form 4-hydroxybenzoate (4-HB) and coenzyme A (CoA) in the final step of the 4-chlorobenzoate dehalogenation pathway. Guided by the published X-ray structures of the liganded enzyme (Thoden, J. B., Zhuang, Z., Dunaway-Mariano, D., and Holden H. M. (2003) J.Biol. Chem. 278, 43709-43716), a series of site-directed mutants were prepared for testing the roles of active site residues in substrate binding and catalysis. The mutant thioesterases were subjected to X-ray structure determination to confirm retention of the native fold, and in some cases, to reveal changes in the active site configuration. In parallel, the wild-type and mutant thioesterases were subjected to transient and steady-state kinetic analysis, and to 18O-solvent labeling experiments. Evidence is provided that suggests that Glu73 functions in nucleophilic catalysis, that Gly65 and Gln58 contribute to transition-state stabilization via hydrogen bond formation with the thioester moiety and that Thr77 orients the water nucleophile for attack at the 4-hydroxybenzoyl carbon of the enzyme-anhydride intermediate. The replacement of Glu73 with Asp was shown to switch the function of the carboxylate residue from nucleophilic catalysis to base catalysis and thus, the reaction from a two-step process involving a covalent enzyme intermediate to a single-step hydrolysis reaction. The E73D/T77A double mutant regained most of the catalytic efficiency lost in the E73D single mutant. The results from 31P NMR experiments indicate that the substrate nucleotide unit is bound to the enzyme surface. Kinetic analysis of site-directed mutants was carried out to determine the contributions made by Arg102, Arg150, Ser120, and Thr121 in binding the nucleotide unit. Lastly, we show by kinetic and X-ray analyses of Asp31, His64, and Glu78 site-directed mutants that these three active site residues are important for productive binding of the substrate 4-hydroxybenzoyl ring.

Transesterification reactions of parabens (alkyl 4-hydroxybenzoates) with polyols in aqueous solution

Hensel,Leisenheimer,Muller,Busker,Wolf-Heuss,Engel

, p. 115 - 118 (1995)

Accelerated stability tests of aqueous solutions containing parabens and polyols were performed using concentrations similar to pharmaceutical and cosmetic formulations. Reaction products were detected in these solutions by HPLC and identified by chromatographic and spectroscopic means. Using xylitol and methylparaben as model reactants, three unknown peaks having the relation 1:2:4 were obtained together with the hydrolysis product 4-hydroxybenzoic acid. Diode array detection gave identical UV spectra for each peak with a maximum at 255 nm. The structures of the isomeric 1-, 2-, and 3-xylityl 4- hydroxy-benzoic acid esters were proved by means of LC-MS, GC-MS, and NMR and correlated to the peaks in the HPLC chromatograms. The rate of the transesterification was shown to be highest in strongly alkaline medium (ph 10-11), whereas equilibration of the reaction was optimally balanced at pH 8- 9. An increase of polyol concentration enhanced the formation of the esters. The reactivity of different substituted parabens was higher in the case of parabens with a short alkyl ester function. Similar reaction profiles were observed with C3-C6 polyols, but no transesterification took place when aldoses were used.

Evidence from Activation Volumes for an Eliminative Mechanism in the Hydrolysis of 2,4-Dinitrophenyl 4-Hydroxybenzoate

Isaacs, Neil S.,Najem, Tariq

, p. 1361 - 1362 (1984)

A positive volume of activation is found for the hydrolysis of 2,4-dinitrophenyl 4-hydroxybenzoate, differentiating its mechanism from the BAc2 route used by other esters, all of which have been negative values.

Carboxylation of phenol with potassium ethyl carbonate. A new method of synthesis of p-hydroxybenzoic acid

Suerbaev,Akhmetova,Shalmagambetov

, p. 1498 - 1499 (2005)

-

Serkerov

, (1973)

Ho et al.

, p. 1059 (1973)

Rostron,Spivey

, p. 3092,3096 (1964)

Cleavage of Carboxylic Esters by Aluminum and Iodine

Sang, Dayong,Yue, Huaxin,Fu, Yang,Tian, Juan

, p. 4254 - 4261 (2021/03/09)

A one-pot procedure for deprotecting carboxylic esters under nonhydrolytic conditions is described. Typical alkyl carboxylates are readily deblocked to the carboxylic acids by the action of aluminum powder and iodine in anhydrous acetonitrile. Cleavage of lactones affords the corresponding ω-iodoalkylcarboxylic acids. Aryl acetylates undergo deacetylation with the participation of the neighboring group. This method enables the selective cleavage of alkyl carboxylic esters in the presence of aryl esters.

Biocatalytic Cross-Coupling of Aryl Halides with a Genetically Engineered Photosensitizer Artificial Dehalogenase

Fu, Yu,Huang, Jian,Wu, Yuzhou,Liu, Xiaohong,Zhong, Fangrui,Wang, Jiangyun

supporting information, p. 617 - 622 (2021/02/03)

Devising artificial photoenzymes for abiological bond-forming reactions is of high synthetic value but also a tremendous challenge. Disclosed herein is the first photobiocatalytic cross-coupling of aryl halides enabled by a designer artificial dehalogenase, which features a genetically encoded benzophenone chromophore and site-specifically modified synthetic NiII(bpy) cofactor with tunable proximity to streamline the dual catalysis. Transient absorption studies suggest the likelihood of energy transfer activation in the elementary organometallic event. This design strategy is viable to significantly expand the catalytic repertoire of artificial photoenzymes for useful organic transformations.

MOF-Zn-NHC as an efficient N-heterocyclic carbene catalyst for aerobic oxidation of aldehydes to their corresponding carboxylic acids: Via a cooperative geminal anomeric based oxidation

Babaee, Saeed,Zarei, Mahmoud,Zolfigol, Mohammad Ali

, p. 36230 - 36236 (2021/12/02)

As an efficient heterogenous N-heterocyclic carbene (NHC) catalyst, MOF-Zn-NHC was used in the aerobic oxidation of aryl aldehydes to their corresponding carbocyclic acids via an anomeric based oxidation. Features such as mild reaction conditions and no need for a co-catalyst or oxidative reagent can be considered as the major advantages of the presented method in this study. This journal is

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