3-Phenylpropionic acid supplier

Name
3-Phenylpropionic acid
EINECS 207-924-5
CAS No. 501-52-0
Article Data714
CAS DataBase
Density 1.126 g/cm³
Solubility Soluble in water
Melting Point 45-48 °C(lit.)
Formula C₉H₁₀O₂
Boiling Point 279.999 °C at 760 mmHg
Molecular Weight 150.177
Flash Point 170.045 °C
Transport Information
Appearance white to off-white crystalline mass, powder or crystals and/or chunk
Safety 22-24/25-37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Hydrocinnamicacid (8CI);3-Phenyl-n-propionic acid;3-Phenylpropanoic acid;Benzenepropionic acid;Benzylacetic acid;Dihydrocinnamicacid;NSC 9272;b-Phenylpropanoic acid;b-Phenylpropionic acid;w-Phenylpropanoic acid;
PSA 37.30000
LogP 1.70380

Synthetic route

: 140-10-3
(E)-3-phenylacrylic acid

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With formic acid; palladium In methanol; water Ambient temperature;	100%
With hydrogen; palladium In ethyl acetate at 25℃; under 760.051 Torr; for 1h;	100%
With hydrogen; palladium in polystyrene In tetrahydrofuran at 25℃; under 760.051 Torr; for 1.5h;	100%

: 122-97-4
3-Phenyl-1-propanol

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; trichloroisocyanuric acid; sodium hydrogencarbonate; sodium bromide In water; acetone at 20℃; for 6h;	100%
With oxygen; potassium hydroxide In methanol; water at 50℃; under 760.051 Torr; for 12h;	100%
With sodium hypochlorite; 4-hydroxy-TEMPO benzoate; silica gel In acetone at 0℃; for 0.5h;	99%

: 15814-45-6
allyl 3-phenylpropionate

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With aminomethyl resin-supported N-propylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 20℃; for 1h;	100%
With 2,2'-azobis(isobutyronitrile) In benzene at 65 - 70℃; for 3h;	100%
With formic acid; triethylamine In acetonitrile at 80℃; for 0.5h; Inert atmosphere;	100%

: 463298-63-7
(S)-(2,3,4,5,6-pentafluorophenyl) 3-phenylpropanethioate

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With potassium hydroxide In acetone at 50℃; for 1h;	100%

: 103-41-3
benzy cinnamate

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen at 20℃; for 24h; Neat (no solvent);	100%
With palladium 10% on activated carbon; hydrogen In methanol at 100℃; under 750.075 Torr; Reagent/catalyst; Temperature; Flow reactor;	100%
With hydrogen In methanol at 20℃; under 760.051 Torr; for 24h; chemoselective reaction;	100%

: 621-82-9
Cinnamic acid

be: be

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With hydrogen; potassium hydroxide In water at 20℃; under 760.051 Torr; for 1h; Sealed tube;	100%

: C23H20O3

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With potassium phosphate; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; ascorbic acid In water; acetonitrile at 20℃; for 1h; Irradiation;	100%
With 2-H-1,3-di-tert-butyl-1,3,2-diazaphosphorinane; 2,2'-azobis(isobutyronitrile); 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In toluene at 90℃; for 12h; chemoselective reaction;	99%

: 1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-3-phenylpropan-1-one

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With ammonium cerium (IV) nitrate In water at 25℃;	100%

: 2021-28-5
ethyl dihydrocinnamate

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With NaSiO(CH3)3 In tetrahydrofuran at 20℃; for 6h;	99%
With pyrographite; sodium hydroxide In water at 20℃; for 24h; Reagent/catalyst; Temperature;	95%
With potassium hydroxide
With samarium diiodide; water; triethylamine In tetrahydrofuran at 20℃; Inert atmosphere;
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 - 20 °C / Inert atmosphere 1.2: 12 h / -78 °C / Inert atmosphere 2.1: 24 h / 120 °C / Autoclave; Inert atmosphere View Scheme

: 621-82-9
Cinnamic acid

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With samarium diiodide; water In tetrahydrofuran for 1.33333h; Ambient temperature;	99%
With Pd(SIPr)(PCy3); hydrogen In methanol at 20℃; under 750.075 Torr; for 24h;	99%
With isopropyl alcohol; potassium hydroxide In water at 70℃; for 20h;	99%

: 637-44-5
phenylpropyolic acid

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With LaNi5 hydride In tetrahydrofuran; methanol 1) 0 deg C, 2 h, 2) r.t., 15 h;	99%
With ferrous ammonium sulphate hexahydrate; isopropyl β-D-thiogalactopyranoside In aq. phosphate buffer at 37℃; for 48h;	92%
With water; palladium diacetate; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In dichloromethane at 25℃; for 12h; Schlenk technique; Inert atmosphere;	71%

: 103-25-3
3-phenylpropanoic acid methyl ester

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With iodine; aluminium In acetonitrile at 80℃; for 18h;	99%
With NaSiO(CH3)3 In tetrahydrofuran at 20℃; for 2h;	95%
With water; triethylamine; lithium bromide In acetonitrile at 20℃; for 48h;	89%

: 22767-95-9
1-methylethyl 3-phenylpropionoate

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With NaSiO(CH3)3 In tetrahydrofuran at 20℃; for 48h;	99%
With samarium diiodide; water; triethylamine In tetrahydrofuran at 20℃; Inert atmosphere;

: 104681-54-1
phenyl-3 propanedithioate de methyle

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With sodium hydroxide; dihydrogen peroxide In methanol; water at 20℃; for 0.0833333h;	99%

: 2-(methoxymethoxy)-2-phenethylmalononitrile

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With (R)-10-camphorsulfonic acid; acetic acid In water at 60℃; for 19h; Mitsunobu Displacement; Sealed tube; Inert atmosphere;	99%

: 645-59-0
dihydrocinnamonitrile

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With potassium phosphate buffer at 30℃; for 17h; Rhodococcus sp. AJ270 cells;	98.3%
enzyme from Synechocystis sp. PCC 6803 In phosphate buffer at 30℃; for 12h; pH=7.2;	94%
With potassium hydroxide; diethylene glycol

: 104-53-0
3-phenyl-propionaldehyde

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
Stage #1: 3-phenyl-propionaldehyde With potassium permanganate; disodium hydrogenphosphate In methanol; water at 25℃; Continuous flow conditions; Sonication; Stage #2: With hydrogenchloride; sodium thiosulfate; sodium chloride In methanol; water; ethyl acetate	98%
With Iron(III) nitrate nonahydrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium chloride In 1,2-dichloro-ethane at 25℃; for 16h;	98%
With tris[2-(4,6-difluorophenyl)pyridinato-C2,N]-iridium(III); oxygen In acetonitrile at 20℃; Irradiation; Sealed tube; Green chemistry; chemoselective reaction;	97%

: 616-75-1
2-benzylmalonic acid

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
In water for 0.25h; Decarboxylation; microwave irradiation;	98%
copper(I) oxide In acetonitrile for 6h; Heating;	97%
With poly-4-vinylpyridine In N,N-dimethyl-formamide for 0.05h; microwave irradiation;	94%

: 23522-67-0
1,1,1,3,3,3-hexafluoropropan-2-yl 3-phenylpropanoate

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water at 20℃; for 12h;	98%

: 22767-96-0
Benzyl 3-phenylpropionate

: 108-88-3
toluene

A: 620-47-3
1-methyl-3-(phenylmethyl)-benzene

B: 620-83-7
1-methyl-4-(phenylmethyl)benzene

C: 713-36-0
2-benzyltoluene

D: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; water at 80℃; for 2h; regioselective reaction;	A n/a B n/a C n/a D 98%

...Expand

: 95841-14-8
(4R,5S)-3-(3-phenylpropionyl)-4-methyl-5-phenyl-oxazolidin-2-one

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With water; ytterbium(III) triflate In acetonitrile at 110℃; for 48h; Sealed tube; Inert atmosphere;	98%

: 112471-52-0
2-tosylethyl 3-phenylpropanoate

A: 5535-52-4
tolyl vinyl sulfone

B: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 0℃; for 1h;	A 97% B 95%

: 16537-10-3
tert-butyl 3-phenylpropanoate

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With 1,1,3,3-Tetramethyldisiloxane; pyrographite; palladium dichloride In 1,2-dimethoxyethane at 25 - 40℃; for 4h; Catalytic behavior; Reagent/catalyst; Solvent;	97%
With (μ3,η2,η3,η5-acenaphthylene)Ru3(CO)7; Dimethylphenylsilane In 1,2-dimethoxyethane at 40℃; for 7h; Inert atmosphere;	95%
With zinc dibromide In dichloromethane for 12h; dealkylation;	91%
With samarium diiodide; water; triethylamine In tetrahydrofuran at 20℃; Inert atmosphere;

: 103-41-3
(E)-cinnamic acid benzyl ester

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With formic acid; potassium hydroxide In ethanol at 70℃; for 1h;	97%
With ammonium formate; silica gel; palladium dichloride In formic acid; water for 0.133333h; microwave irradiation;	84%

: 84454-74-0
3-Oxo-5-phenyl-2-(triphenyl-λ5-phosphanylidene)-pentanoic acid ethyl ester

A: 791-28-6
Triphenylphosphine oxide

B: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With sodium hydroxide; sodium hypochlorite In acetonitrile at 25℃; for 4.5h;	A n/a B 96%

: 14371-10-9
(E)-3-phenylpropenal

: 7677-24-9
trimethylsilyl cyanide

A: 61912-03-6
2-hydroxy-4-phenyl-3-butenenitrile

B: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
Stage #1: (E)-3-phenylpropenal; trimethylsilyl cyanide With tris(2,4,6-trimethoxyphenyl)phosphine In diethyl ether at 32℃; for 2h; Stage #2: With hydrogenchloride In diethyl ether; water at 20℃; for 3h;	A 96% B 1%

...Expand

: 768-56-9
4-Phenyl-1-butene

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
Stage #1: 4-Phenylbut-1-ene With ozone In water; acetonitrile at 0℃; Inert atmosphere; Stage #2: With sodium chlorite In water; acetonitrile at 15 - 20℃; under 760.051 Torr; Inert atmosphere; Stage #3: With sodium hydrogen sulfate In water; acetonitrile at 35℃; for 0.166667h; Inert atmosphere;	96%
With potassium peroxymonosulfate; iodobenzene In water; acetonitrile at 60℃; for 8h;	90%
Multi-step reaction with 3 steps 1.1: bis(pinacol)diborane; caesium carbonate; methanol / tetrahydrofuran / 6 h / 70 °C 1.2: 1 h / 0 °C 2.1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical / toluene; aq. phosphate buffer / 25 °C / pH 6.8 2.2: 4 h / 25 °C 3.1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium chlorite; sodium hypochlorite / toluene; aq. phosphate buffer / 12 h / 25 °C / pH 6.8 View Scheme
Multi-step reaction with 3 steps 1.1: bis(pinacol)diborane; caesium carbonate; methanol / tetrahydrofuran / 6 h / 70 °C 1.2: 1 h / 0 °C 2.1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical / 1,4-dioxane; aq. phosphate buffer / 25 °C / pH 6.8 2.2: 22 h / 25 °C 3.1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium chlorite; sodium hypochlorite / toluene; aq. phosphate buffer / 12 h / 25 °C / pH 6.8 View Scheme
Multi-step reaction with 2 steps 1: 4-methylmorpholine N-oxide; osmium(VIII) oxide / tetrahydrofuran; tert-butyl alcohol; water / 12 h / 20 °C / Sealed tube 2: silver trifluoromethanesulfonate; oxygen; sodium methylate / tetrahydrofuran; methanol / 37 °C / 760.05 Torr / Sealed tube View Scheme

: 79-10-7
acrylic acid

: 98-80-6
phenylboronic acid

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With [Rh(OH)(cod)]2; water at 75℃; for 16h; Miyaura-Hayashi reaction; Inert atmosphere;	96%

: 124888-60-4, 124988-64-3, 143615-31-0, 1199-97-9
4-phenylbutane-1,2-diol

: 501-52-0
3-Phenylpropionic acid

Conditions

Conditions	Yield
With 1‐methyl‐2‐azaadamantane‐N‐oxyl; sodium hypochlorite; sodium chlorite In aq. phosphate buffer; acetonitrile at 20℃; for 2.5h; pH=6.8; Inert atmosphere;	96%
With oxygen; sodium methylate; silver trifluoromethanesulfonate In tetrahydrofuran; methanol at 37℃; under 760.051 Torr; Sealed tube;	85%
Multi-step reaction with 2 steps 1.1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical / toluene; aq. phosphate buffer / 25 °C / pH 6.8 1.2: 4 h / 25 °C 2.1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium chlorite; sodium hypochlorite / toluene; aq. phosphate buffer / 12 h / 25 °C / pH 6.8 View Scheme
Multi-step reaction with 2 steps 1.1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical / 1,4-dioxane; aq. phosphate buffer / 25 °C / pH 6.8 1.2: 22 h / 25 °C 2.1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium chlorite; sodium hypochlorite / toluene; aq. phosphate buffer / 12 h / 25 °C / pH 6.8 View Scheme

: 110-89-4
piperidine

: 501-52-0
3-Phenylpropionic acid

: 21924-11-8
1-(3-phenylpropanoyl)piperidine

Conditions

Conditions	Yield
With dmap; benzenesulfonic anhydride In dichloromethane at 20℃; for 1h;	100%
With tetrakis(pyridin-2-yloxy)silane In tetrahydrofuran at 20℃; for 24h;	97%
With BuSi(Im)3 In tetrahydrofuran at 20℃;	96%

: 67-56-1
methanol

: 501-52-0
3-Phenylpropionic acid

: 103-25-3
3-phenylpropanoic acid methyl ester

Conditions

Conditions	Yield
With 4-methyl-morpholine; N-[4-methoxy-6-(N'-phenylbenzamido)-1,3,5-triazin-2-yl]-N-methylmorpholinium chloride at 20℃; for 3h; Reagent/catalyst;	100%
With 4-(1H,1H-perfluorotetradecyl)-C6F4-CH(SO2CF3)2 at 70℃; for 7h;	99%
With sulfuric acid for 5h; Reflux;	99%

: 501-52-0
3-Phenylpropionic acid

: 83-33-0
inden-1-one

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In dichloromethane at 80℃; for 3h; Friedel-Crafts Acylation; High pressure; Inert atmosphere; Green chemistry;	100%
With trifluorormethanesulfonic acid at 5 - 20℃; for 2h; Cyclization;	99%
With polyphosphoric acid at 90℃; for 0.5h;	98.2%

: 501-52-0
3-Phenylpropionic acid

: 645-59-0
dihydrocinnamonitrile

Conditions

Conditions	Yield
Stage #1: 3-Phenylpropionic acid With resin-bound amine; benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In N,N-dimethyl-formamide at 20℃; Stage #2: With pyridine; trifluoroacetic anhydride In dichloromethane at 20℃; for 16h;	100%
With ammonium carbonate; diphosphorus tetraiodide In carbon disulfide at 20℃; for 6h;	90%
With hydroxyammonium sulfate; zinc for 0.333333h; Microwave irradiation;	90%

: 501-52-0
3-Phenylpropionic acid

: 645-45-4
hydrocinnamic acid chloride

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 23℃;	100%
With oxalyl dichloride In dichloromethane at 20℃;	100%
With oxalyl dichloride In dichloromethane for 24h; Inert atmosphere;	100%

: 100-51-6
benzyl alcohol

: 501-52-0
3-Phenylpropionic acid

: 22767-96-0
Benzyl 3-phenylpropionate

Conditions

Conditions	Yield
With [Cl(C6F13C2H4)2SnOSn(C2H4C6F13)2Cl]2 In various solvent(s) at 150℃; for 10h;	100%
With N,N'-dimethylaminopyridine; di-tert-butyl dicarbonate In nitromethane at 50℃; for 16h;	99%
With dmap; benzotriazol-1-ol; dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 1h;	99%

: 122-97-4
3-Phenyl-1-propanol

: 501-52-0
3-Phenylpropionic acid

: 60045-27-4
3-phenylpropionic acid 3-phenylpropyl ester

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 15.5h; Esterification;	100%
With octamethylcyclotetrasiloxane; titanium(IV) chloride tris(trifluoromethanesulfonate) In toluene at 50℃; for 18h;	99%
With dmap In dichloromethane at 20℃; for 1h;	97%

: 501-52-0
3-Phenylpropionic acid

: 71-36-3
butan-1-ol

: 20627-49-0
3-phenyl-propionic acid butyl ester

Conditions

Conditions	Yield
With 1-chloro-3-hydroxy-1,1,3,3-tetrabutyldistannoxane at 120℃; for 24h; Esterification;	100%
Zn4O (OCOCF3)6(CF3COOH)n In di-isopropyl ether for 18h; Product distribution / selectivity; Inert atmosphere; Reflux;	100%
With di-tert-butyl dicarbonate; magnesium chloride at 20℃;	97%

: 501-52-0
3-Phenylpropionic acid

: 108-95-2
phenol

: 726-26-1
phenyl 3-phenylpropanoate

Conditions

Conditions	Yield
With dmap; trimethylsilylethoxyacetylene; mercury(II) oxide In 1,2-dichloro-ethane at 40℃; for 0.5h;	100%
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;	100%
With dmap; di-2-thienyl carbonate In dichloromethane at 20℃; for 2h;	95%

: 822-89-9
1-Hydroxy-2-pyridon

: 501-52-0
3-Phenylpropionic acid

: 124552-53-0
2(1H)-oxo-1-pyridyl 3-phenylpropanoate

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In dichloromethane	100%

: 28230-32-2
3-hydroxy-3,4-dihydrobenzotriazine-4-one

: 501-52-0
3-Phenylpropionic acid

: 124552-52-9
3-Phenyl-propionic acid 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl ester

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In tetrahydrofuran	100%

: 501-52-0
3-Phenylpropionic acid

: 17428-96-5
1,1-d2-3-phenylpropan-1-ol

Conditions

Conditions	Yield
With lithium aluminium deuteride In diethyl ether at 0 - 20℃; for 2h;	100%
With lithium aluminium deuteride In diethyl ether 1.) RT, 1 h, 2.) reflux, 8 h;	94%
With lithium aluminium deuteride In diethyl ether for 16h; Heating;	94%

: 64-04-0
phenethylamine

: 501-52-0
3-Phenylpropionic acid

: 10264-31-0
N-phenethyl-3-phenylpropanamide

Conditions

Conditions	Yield
With 4-methyl-morpholine; 2-chloro-4-(2,6-dimethylphenyl)-6-methoxy-1,3,5-triazine In methanol at 20℃; for 0.0833333h; Catalytic behavior; Solvent; Reagent/catalyst;	100%
With 4-methyl-morpholine In dichloromethane at 20℃; for 24h;	99%
Stage #1: 3-Phenylpropionic acid With 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; trimethylamine In dichloromethane at 20℃; for 1h; Stage #2: phenethylamine In dichloromethane at 20℃; for 3h;	98%

: 100-46-9
benzylamine

: 501-52-0
3-Phenylpropionic acid

: 10264-10-5
N-benzyl-3-phenylpropanamide

Conditions

Conditions	Yield
With tetrakis(2-methylimidazol-1-yl)silane In tetrahydrofuran at 20℃; for 3h;	100%
With aluminum oxide; 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride In dichloromethane at 20℃; for 0.5h;	99%
With borane-ammonia complex In 5,5-dimethyl-1,3-cyclohexadiene for 12h; Reflux;	99%

: 3945-69-5
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride

: 501-52-0
3-Phenylpropionic acid

: 3-phenyl-propionic acid 4,6-dimethoxy-[1,3,5]triazin-2-yl ester

Conditions

Conditions	Yield
In 1,2-dimethoxyethane at 0℃; for 3h; Condensation;	100%
With 4-methyl-morpholine In 1,4-dioxane; water at 20℃; for 0.25h;

: 111-87-5
octanol

: 501-52-0
3-Phenylpropionic acid

: 37826-57-6
1-octyl 3-phenylpropanoate

Conditions

Conditions	Yield
With [Cl(C6F13C2H4)2SnOSn(C2H4C6F13)2Cl]2 In various solvent(s) at 150℃; for 10h;	100%
With sulfonated polypyrene In n-heptane at 110℃; for 2h;	98%
With trifluorormethanesulfonic acid at 80℃; for 18h; Reagent/catalyst; Temperature; Sealed tube;	98%

: 103-67-3
benzyl-methyl-amine

: 501-52-0
3-Phenylpropionic acid

: 61751-42-6
N-benzyl-N-methyl-3-phenylpropionamide

Conditions

Conditions	Yield
With 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride In methanol at 20℃; for 3h;	100%
With tetrakis(2-methylimidazol-1-yl)silane In tetrahydrofuran at 20℃; for 12h;	99%
Stage #1: 3-Phenylpropionic acid With 1,1'-carbonyldioxydi[2(1H)-pyridone] In dichloromethane at 20℃; for 1h; Stage #2: benzyl-methyl-amine In dichloromethane at 20℃;	97%

: 109-73-9
N-butylamine

: 501-52-0
3-Phenylpropionic acid

: 10264-11-6
N‐butyl‐3‐phenylpropanamide

Conditions

Conditions	Yield
Stage #1: 3-Phenylpropionic acid With (chloro-phenylthio-methylene)dimethylammonium chloride In dichloromethane at 0℃; for 0.5h; Stage #2: N-butylamine In dichloromethane at 20℃; for 12h;	100%
With dmap; triethylamine; trichlorophosphate In dichloromethane at 20℃; for 2h;	95%
Stage #1: 3-Phenylpropionic acid With 1,1'-carbonyldiimidazole In water; acetonitrile at 30℃; for 0.25h; Stage #2: N-butylamine In water; acetonitrile Reagent/catalyst;

: 106-24-1
Geraniol

: 501-52-0
3-Phenylpropionic acid

: (E)-3,7-dimethylocta-2,6-dien-1-yl 3-phenylpropanoate

Conditions

Conditions	Yield
With [Cl(C6F13C2H4)2SnOSn(C2H4C6F13)2Cl]2 In various solvent(s) at 150℃; for 10h;	100%
Stage #1: 3-Phenylpropionic acid With iodine; triphenylphosphine In dichloromethane at 20℃; for 0.166667h; Stage #2: With gadolinium(III) trifluoromethanesulfonate In dichloromethane at 50℃; for 0.5h; Stage #3: Geraniol In dichloromethane	71%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 16h;
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃;

: 91-00-9
Benzhydrylamine

: 501-52-0
3-Phenylpropionic acid

: N-(diphenylmethyl)-3-phenylpropanamide

Conditions

Conditions	Yield
Stage #1: 3-Phenylpropionic acid With 1,1'-carbonyldioxydi[2(1H)-pyridone] In dichloromethane at 20℃; for 1h; Stage #2: Benzhydrylamine In dichloromethane at 20℃;	100%
With dmap In dichloromethane at 0℃; for 1h;	97%
Stage #1: 3-Phenylpropionic acid With dmap; nicotinic anhydride In dichloromethane at 0℃; for 0.166667h; Stage #2: Benzhydrylamine In dichloromethane at 0℃; for 1h;	97%

: 768-94-5
1-Adamantanamine

: 501-52-0
3-Phenylpropionic acid

: N-((3s,5s,7s)-adamantan-1-yl)-3-phenylpropanamide

Conditions

Conditions	Yield
Stage #1: 3-Phenylpropionic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate at 20℃; for 0.166667h; Stage #2: 1-Adamantanamine at 20℃; for 1h;	100%
With dmap; 2-methyl-6-nitrobenzoic anhydride In dichloromethane at 20℃;	96%
Stage #1: 3-Phenylpropionic acid With 1,1'-carbonyldioxydi[2(1H)-pyridone] In dichloromethane at 20℃; for 1h; Stage #2: 1-Adamantanamine In dichloromethane at 20℃;	90%

: 2038-57-5
3-Phenylpropan-1-amine

: 501-52-0
3-Phenylpropionic acid

: 3-phenyl-N-(3-phenylpropyl) propanamide

Conditions

Conditions	Yield
Stage #1: 3-Phenylpropionic acid With 1,1'-carbonyldioxydi[2(1H)-pyridone] In dichloromethane at 20℃; for 1h; Stage #2: 3-Phenylpropan-1-amine In dichloromethane at 20℃;	100%
With dmap; benzenesulfonic anhydride In dichloromethane at 20℃; for 1h;	100%
With tetrakis(2-methylimidazol-1-yl)silane In tetrahydrofuran at 20℃; for 3h; Product distribution; Further Variations:; Solvents; molar ratios, reaction times;	99%

: 135-19-3
β-naphthol

: 501-52-0
3-Phenylpropionic acid

: 94305-35-8
naphthalen-2-yl 3-phenylpropanoate

Conditions

Conditions	Yield
Stage #1: 3-Phenylpropionic acid With trifluoroacetic anhydride; indium(III) chloride at 20℃; Stage #2: β-naphthol at 20℃; for 0.166667h;	100%

: 501-52-0
3-Phenylpropionic acid

: 294862-31-0
1-[(R)-1-(tert-butyldimethylsilyloxy)-4-(6-aminoindol-1-yl)-2-butyl]imidazole-4-carboxamide

: 294867-31-5
1-[(R)-1-(tert-butyldimethylsilyloxy)-4-(6-(3-phenylpropionylamino)indol-1-yl)-2-butyl]imidazole-4-carboxamide

Conditions

Conditions	Yield
Stage #1: 3-Phenylpropionic acid With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane at 20℃; for 0.666667h; Stage #2: 1-[(R)-1-(tert-butyldimethylsilyloxy)-4-(6-aminoindol-1-yl)-2-butyl]imidazole-4-carboxamide In dichloromethane at 20℃; for 4h;	100%

: 71-41-0
pentan-1-ol

: 501-52-0
3-Phenylpropionic acid

: 232949-65-4
pentyl 3-phenylpropionoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 11h; Esterification;	100%
With 4-nitro-diphenylammonium triflate In toluene at 80℃; for 8h;	94%
With toluene-4-sulfonic acid at 20℃; for 0.5h;

: 77118-87-7
(S)-1-Phenyl-3-buten-1-ol

: 501-52-0
3-Phenylpropionic acid

: 3-Phenyl-propionic acid (S)-1-phenyl-but-3-enyl ester

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide; dmap In dichloromethane at 20℃; for 12h;	100%

3-Phenylpropionic acid Chemical Properties

Molecular Structure:

Molecular Formula: C₉H₁₀O₂
Molecular Weight: 150.1745
IUPAC Name: 3-Phenylpropanoic acid
Synonyms of Hydrocinnamic acid (CAS NO.501-52-0): 3-Phenylpropanoic acid ; 3-Phenylpropionic acid ; 4-09-00-01752 (Beilstein Handbook Reference) ; AI3-00892 ; BRN 0907515 ; Benzenepropanoic acid ; Benzenepropionic acid ; Benzylacetic acid ; CCRIS 3199 ; Dihydrocinnamic acid ; EINECS 207-924-5 ; FEMA No. 2889 ; NSC 9272 ; Phenylpropanoic acid ; beta-Phenylpropionic acid
CAS NO: 501-52-0
Classification Code: Drug / Therapeutic Agent
Melting point: 45-48 °C
Index of Refraction: 1.542
Molar Refractivity: 41.999 cm³
Molar Volume: 133.383 cm³
Surface Tension: 44.992 dyne/cm
Density: 1.126 g/cm³
Flash Point: 170.045 °C
Enthalpy of Vaporization: 54.789 kJ/mol
Boiling Point: 279.999 °C at 760 mmHg
Vapour Pressure: 0.002 mmHg at 25°C

3-Phenylpropionic acid Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1202mg/kg (1202mg/kg)		Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984.

3-Phenylpropionic acid Safety Profile

Hazard Codes of Hydrocinnamic acid (CAS NO.501-52-0): Irritant Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-37/39-26
S22: Do not breathe dust.
S24/25: Avoid contact with skin and eyes.
S37/39: Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: DA8600000
HS Code: 29163900

3-Phenylpropionic acid Specification

1. Fire Fighting Measures of Hydrocinnamic acid (CAS NO.501-52-0)
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. This chemical poses an explosion hazard. This material may become self-reactive and possibly explosive.
Extinguishing Media: Use WATER spray, dry chemical, CARBON dioxide, or chemical foam.
2. Handling and Storage of Hydrocinnamic acid
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store in a cool, dry place. Store in a tightly closed container.

Product Name

3-Phenylpropionic acid

Synthetic route

3-Phenylpropionic acid Chemical Properties

3-Phenylpropionic acid Toxicity Data With Reference

3-Phenylpropionic acid Safety Profile

3-Phenylpropionic acid Specification

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