13005-36-2

Basic information

• Product Name: Potassium phenylacetate
• Synonyms: benzeneaceticacid,potassiumsalt;PHENYLACETIC ACID POTASSIUM SALT;POTASSIUM PHENYLACETATE;Potassium 2-phenylacetate;Benzeneacetic acid,potassiuM salt (1:1)
• CAS NO: 13005-36-2
• Molecular Formula: C₈H₇O₂*K
• Molecular Weight: 174.24
• EINECS: 235-845-6
• Mol File: 13005-36-2.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 265.5 °C at 760 mmHg
• Flash Point: 156.2 °C
• Appearance: White powder
• Density: 1.257g/cm3
• Vapor Pressure: 0.001Pa at 25℃
• CAS DataBase Reference: Potassium phenylacetate(CAS DataBase Reference)
• NIST Chemistry Reference: Potassium phenylacetate(13005-36-2)
• EPA Substance Registry System: Potassium phenylacetate(13005-36-2)

Safety Data

• Hazardous Substances Data: 13005-36-2(Hazardous Substances Data)

Usage

Flammability and Explosibility

Nonflammable

InChI:InChI=1/C8H8O2.K/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1

Synthetic route

benzeneacetic acid methyl ester (101-41-7) → potassium phenylacetate (13005-36-2)

Conditions	Yield
With potassium tert-butylate; water In ethanol at 60℃;	95%

PdCl2 (PPH3)2 + benzyl chloride (100-44-7) → potassium phenylacetate (13005-36-2)

Conditions	Yield
With potassium hydroxide; triphenylphosphine In methanol	94%

phenylacetic acid (103-82-2) + potassium hydroxide → potassium phenylacetate (13005-36-2)

Conditions	Yield
In water at 70℃;

phenylacetic acid (103-82-2) → potassium phenylacetate (13005-36-2)

Conditions	Yield
With potassium hydroxide In water at 20℃; for 0.5h;

Ethyl 2-phenylethanoate (101-97-3) → potassium phenylacetate (13005-36-2)

Conditions	Yield
With potassium tert-butylate In benzene at 20℃;

phenylacetic acid (103-82-2) + potassium phenylacetate (13005-36-2) → phenylacetic anhydride (1555-80-2)

Conditions	Yield
Stage #1: phenylacetic acid With trichloroisocyanuric acid; triphenylphosphine In dichloromethane at 0 - 20℃; Stage #2: potassium phenylacetate In dichloromethane at 20℃; for 1.33333h;	96%

potassium phenylacetate (13005-36-2) + α-bromoacetophenone (70-11-1) → 2-oxo-2-phenylethyl 2-phenylacetate (98078-08-1)

Conditions	Yield
With β‐cyclodextrin In water; acetone at 50℃;	95%

1,4-dibromo-butane (110-52-1) + potassium phenylacetate (13005-36-2) → 1,4-bis-phenylacetoxy-butane (99730-37-7)

Conditions	Yield
With tetrabutylammomium bromide; potassium carbonate In water at 100℃; for 0.5h; Microwave irradiation; Green chemistry;	95%

2-(3-bromopropyl)isoindole-1,3-dione (5460-29-7) + potassium phenylacetate (13005-36-2) → 3-benzyl-2-(3-bromopropyl)-3-hydroxy-2,3-dihydro-1H-isoindol-1-one

Conditions	Yield
In acetone for 0.333333h; pH=7; Solvent; Flow reactor; Irradiation;	95%

phthalimide (136918-14-4) + potassium phenylacetate (13005-36-2) → 2,3-dihydro-3-hydroxy-3-(phenylmethyl)-1H-isoindol-1-one (20871-31-2)

Conditions	Yield
In acetone Flow reactor; Green chemistry;	93%
In acetone at 15 - 20℃; for 3h; pH=7; aq. buffer; UV-irradiation; Inert atmosphere;	92%

PdCl2 (PPH3)2 + potassium phenylacetate (13005-36-2) + benzyl chloride (100-44-7) → benzeneacetic acid methyl ester (101-41-7)

Conditions	Yield
With potassium hydroxide; triphenylphosphine In methanol; isopropyl alcohol	92%

potassium phenylacetate (13005-36-2) + 4-(bromoacetyl)toluene (619-41-0) → 2-(4-methylphenyl)-2-oxoethyl 2-phenylacetate

Conditions	Yield
With β‐cyclodextrin In water; acetone at 50℃;	90%

potassium phenylacetate (13005-36-2) + 4-chlorobenzoylmethyl bromide (536-38-9) → 2-(4-chlorophenyl)-2-oxoethyl 2-phenylacetate (98078-06-9)

Conditions	Yield
With β‐cyclodextrin In water; acetone at 50℃;	90%

potassium phenylacetate (13005-36-2) + 4-Nitrophenacyl bromide (99-81-0) → 2-(4-nitrophenyl)-2-oxoethyl 2-phenylacetate (98078-04-7)

Conditions	Yield
With β‐cyclodextrin In water; acetone at 50℃;	89%

N-methylphthalimide (550-44-7) + potassium phenylacetate (13005-36-2) → 3-benzyl-3-hydroxy-2-methyl-1,3-dihydroisoindol-1(3H)-one (4770-23-4)

Conditions	Yield
In water; acetone at 15℃; Irradiation;	88%
In water; acetone at 15 - 20℃; for 20h; Irradiation;	88%
In acetone Flow reactor; Green chemistry;	84%
In water; acetone at 15 - 20℃; for 1h; Inert atmosphere; UV-irradiation;	80%
With water In acetone for 0.666667h; Irradiation; Inert atmosphere;	100 %Spectr.

potassium phenylacetate (13005-36-2) + para-bromophenacyl bromide (99-73-0) → 2-(4-bromophenyl)-2-oxoethyl 2-phenylacetate (92873-04-6)

Conditions	Yield
With β‐cyclodextrin In water; acetone at 50℃;	88%

2-(2-bromoethyl)isoindoline-1,3-dione (574-98-1) + potassium phenylacetate (13005-36-2) → 3-benzyl-2-(2-bromoethyl)-3-hydroxy-2,3-dihydro-1H-isoindol-1-one

Conditions	Yield
In acetone for 0.333333h; pH=7; Solvent; Flow reactor; Irradiation;	87%
In acetone Flow reactor; Green chemistry;	86%

potassium phenylacetate + 2-chloro-ethanol (107-07-3) → 2-hydroxyethyl 2-phenylacetate (28481-53-0)

Conditions	Yield
triethylamine at 135℃; for 3.5h;	84%

tris-(o-tolyl)antimony(V) dibromide (61184-32-5) + potassium phenylacetate (13005-36-2) → bis-(2-phenylacetato)tris-(o-tolyl)antimony(V)

Conditions	Yield
In toluene at 20℃; for 12h;	84%

benzhydryl 7-aminocephalosporanate (27266-61-1, 54600-89-4) + potassium phenylacetate (13005-36-2) → (6R,7R)-benzhydryl 3-(acetyloxymethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (41128-81-8)

Conditions	Yield
With triethylamine; 2-chloro-1-methylpyridinium sulfate In dichloromethane for 0.5h;	83%

diphenyl diselenide (1666-13-3) + potassium phenylacetate (13005-36-2) → benzyl phenyl selenide (18255-05-5)

Conditions	Yield
With air In 1-methyl-pyrrolidin-2-one at 120℃; for 6h;	80%

potassium phenylacetate (13005-36-2) + Chloromethyltrimethylsilane (2344-80-1) → (trimethylsilyl)methyl phenylacetate

Conditions	Yield
In N,N-dimethyl-formamide Heating;	78%

potassium phenylacetate (13005-36-2) + diphenyldisulfane (882-33-7) → Benzyl phenyl sulfide (831-91-4)

Conditions	Yield
In N,N-dimethyl-formamide at 150℃; for 24h; Inert atmosphere;	76%

2-(3-bromopropyl)isoindole-1,3-dione (5460-29-7) + potassium phenylacetate (13005-36-2) → 9b-benzyl-2,3-dihydrooxazolo[2,3-a]isoindol-5-(9bH)-one (876065-74-6) + 3-benzyl-2-(3-bromopropyl)-3-hydroxy-2,3-dihydro-1H-isoindol-1-one

Conditions	Yield
In acetone Flow reactor; Green chemistry;	A n/a B 74%

triethylchloromethylsilane (757-34-6) + potassium phenylacetate (13005-36-2) → (triethylsilyl)methyl phenylacetate

Conditions	Yield
In N,N-dimethyl-formamide for 3h; Heating;	63.1%

N-phthaloylglycine methyl ester (23244-58-8) + potassium phenylacetate (13005-36-2) → C18H17NO4 (1197385-40-2)

Conditions	Yield
In water; acetone at 15 - 20℃; for 4h; Inert atmosphere; UV-irradiation;	60%

styrene (292638-84-7) + potassium phenylacetate (13005-36-2) → (1-fluoropropane-1,3-diyl)dibenzene (1430423-86-1)

Conditions	Yield
With silver nitrate; Selectfluor In 1,4-dioxane; water at 20℃; for 12h; Inert atmosphere; Schlenk technique; chemoselective reaction;	60%

2-bromo-1-(4-chlorophenyl)-2-phenylethanone (1889-78-7) + potassium phenylacetate (13005-36-2) → 4-chlorobezoin phenylacetate (108511-28-0)

Conditions	Yield
With 18-crown-6 ether In acetonitrile for 2h; Heating;	55%

N-methoxyphthalimide (1914-20-1) + potassium phenylacetate (13005-36-2) → 3-benzyl-3-hydroxy-2-methoxyisoindolin-1-one

Conditions	Yield
In water; acetone for 1h; Irradiation; Schlenk technique; Inert atmosphere; chemoselective reaction;	52%

(chloromethyl)trimethoxysilane (5926-26-1) + potassium phenylacetate (13005-36-2) → (trimethoxysilyl)methyl phenylacetate

Conditions	Yield
In N,N-dimethyl-formamide Heating;	45.8%

chloromethyltriethoxysilane (15267-95-5) + potassium phenylacetate (13005-36-2) → (triethoxysilyl)methyl phenylacetate

Conditions	Yield
In N,N-dimethyl-formamide Heating;	43.8%

2-(4-acetoxybenzyl) isoindoline-1,3-dione (630393-48-5) + potassium phenylacetate (13005-36-2) → C24H21NO4 (1401522-29-9)

Conditions	Yield
With water In acetone for 5h; Irradiation; Inert atmosphere;	43%

Upstream product

• 103-82-2 phenylacetic acid 
• 101-97-3 Ethyl 2-phenylethanoate 
• 101-41-7 benzeneacetic acid methyl ester 
• 100-44-7 benzyl chloride 

Downstream Products

• 5325-40-6 3t-(3,5-dichloro-4-hydroxy-phenyl)-2-phenyl-acrylic acid 
• 28481-53-0 2-hydroxyethyl 2-phenylacetate 
• 70632-18-7 1,2-bis-phenylacetoxy-ethane 
• 101-41-7 benzeneacetic acid methyl ester 
• 20871-31-2 2,3-dihydro-3-hydroxy-3-(phenylmethyl)-1H-isoindol-1-one 
• 40523-35-1 (3E)-3-benzylidene-2-methylisoindolin-1-one 
• 40523-36-2 (Z)-3-benzylidene-2-methyl-2,3-dihydro-1H-isoindolin-1-one 
• 1555-80-2 phenylacetic anhydride 
• 99730-37-7 1,4-bis-phenylacetoxy-butane 
• 103-29-7 1,1'-(1,2-ethanediyl)bisbenzene 
• 100-51-6 benzyl alcohol 
• 831-91-4 Benzyl phenyl sulfide 
• 57825-33-9 (1-13C)-phenylacetic acid 
• 876065-74-6 9b-benzyl-2,3-dihydrooxazolo[2,3-a]isoindol-5-(9bH)-one 

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