5669-19-2

Basic information

• Product Name: 2-Benzylacrylic acid
• Synonyms: BENZYL ACRYLIC ACID;2-BENZYLACRYLIC ACID;2-PROPENOIC ACID, (PHENYLMETHYL)-;o-benzyl acrylic acid;2-BENZYLACRYLIC ACIDE;(Phenylmethyl)-2-propenoic acid;A-BENZYLACRYLIC ACID;2-Methylene-3-phenylpropanoic Acid
• CAS NO: 5669-19-2
• Molecular Formula: C₁₀H₁₀O₂
• Molecular Weight: 162.19
• EINECS: 1308068-626-2
• Product Categories: RACECADOTRIL;Aliphatics;Aromatics
• Mol File: 5669-19-2.mol
• Article Data: 49

Chemical Properties

• Melting Point: 66-68 °C
• Boiling Point: 326.1 °C at 760 mmHg
• Flash Point: 230.1 °C
• Appearance: White Solid
• Density: 1.120
• Vapor Pressure: 8.97E-05mmHg at 25°C
• Refractive Index: 1.551
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 4.48±0.11(Predicted)
• Stability: Light Sensitive
• CAS DataBase Reference: 2-Benzylacrylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Benzylacrylic acid(5669-19-2)
• EPA Substance Registry System: 2-Benzylacrylic acid(5669-19-2)

Safety Data

• Hazardous Substances Data: 5669-19-2(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

InChI:InChI=1/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,11,12)

Synthetic route

2-Benzylacrylic acid ethyl ester (20593-63-9) → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With lithium hydroxide In tetrahydrofuran; water for 15h; Heating;	100%
With ethanol; sodium hydroxide In dichloromethane at 10 - 20℃; for 3.5h; Time; Reflux;	92.8%
With potassium hydroxide In methanol for 18h;	80%

formaldehyd (50-00-0) + 2-benzylmalonic acid (616-75-1) → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With diethylamine for 5h; Mannich reaction;	98%
With diethylamine In ethyl acetate at 0℃; for 3h; Reflux;	90%
With diethylamine In ethyl acetate for 4h; Inert atmosphere; Reflux;	87%

2-benzylmalonic acid (616-75-1) → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
Stage #1: 2-benzylmalonic acid With formaldehyd; diethylamine In ethyl acetate at 0 - 20℃; for 1.5h; Heating / reflux; Stage #2: With hydrogenchloride; water at 10℃;	90%
Stage #1: 2-benzylmalonic acid With formaldehyd; diethylamine In ethyl acetate Stage #2: With potassium hydroxide
Multi-step reaction with 2 steps 1: concentrated ammonia View Scheme

(Z)-3-Phenyl-2-trimethylsilanylmethyl-acrylic acid ethyl ester (109481-98-3) → 2-Benzyl-2-propenoic acid (5669-19-2) + 2-methyl-3-phenylacrylic acid (1895-97-2)

Conditions	Yield
With potassium hydroxide; water In methanol for 3h; Reflux;	A 12% B 87%

(2-Methoxycarbonyl-3-phenyl-propyl)-trimethyl-ammonium; iodide → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With sodium hydroxide at 100℃; for 2h;	80%

5-benzyl-5-hydroxymethyl-2,2-dimethyl-[1,3]dioxane-4,6-dione (358382-80-6) → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With hydrogen bromide In water; acetic acid for 2h; Heating;	76%

diethyl 2-benzyl-2(hydroxymethyl)malonate → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With hydrogen bromide; acetic acid at 90℃; for 18h;	72.4%
With hydrogen bromide; acetic acid In water at 80℃; for 72h;

benzylacrylate (2495-35-4) → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With potassium hydroxide In methanol	66%

methyl 2-benzylacrylate (3070-71-1) → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With sodium hydroxide In methanol for 20h; Ambient temperature;	65%
With potassium hydroxide In ethanol Heating;
With lithium hydroxide monohydrate; water In tetrahydrofuran at 70℃; for 3h;

(Z)-3-Phenyl-2-trimethylsilanylmethyl-acrylic acid ethyl ester (109481-98-3) → (2Z)-3-phenyl-2-[(trimethylsilyl)methyl]prop 2-enoic acid (1039704-09-0) + 2-Benzyl-2-propenoic acid (5669-19-2) + 2-methyl-3-phenylacrylic acid (1895-97-2)

Conditions	Yield
With potassium hydroxide; water In methanol for 0.333333h; Reflux;	A 19% B 13% C 64%

α-benzylacrylonitrile (28769-48-4) → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With sulfuric acid In water at 130℃; for 15h;	62%
With hydrogenchloride
With potassium hydroxide In 2-ethoxy-ethanol Heating;

2-benzyl-2-propenal (30457-88-6) → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With sodium chlorite; sodium phosphate In water; tert-butyl alcohol at 20℃; for 0.5h;	36%

2-methylenesuccinic acid (97-65-4) + benzene diazonium chloride (100-34-5) → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With water; sodium acetate; copper dichloride Bestrahlen des Reaktionsprodukts in Gegenwart von Brom in Aether und CHCl3;

benzyl-piperidinomethyl-malonic acid (861356-96-9) → 2-Benzyl-2-propenoic acid (5669-19-2)

aminomethyl-benzyl-malonic acid (408308-23-6) → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With water

benzyl-methoxymethyl-malonic acid (69858-92-0) → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With hydrogenchloride
With sulfuric acid at 170 - 175℃;

benzyl-methylaminomethyl-malonic acid (408308-33-8) → 2-Benzyl-2-propenoic acid (5669-19-2)

2-benzyl-2-carboxy-3-(dimethylamino)propionic acid (24643-58-1) → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
Thermolysis;
beim Schmelzen im Vakuum;

allylaminomethyl-benzyl-malonic acid → 2-Benzyl-2-propenoic acid (5669-19-2)

benzyl-methanesulfonylmethyl-malonic acid diethyl ester (855653-03-1) → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With sodium hydroxide

2,2'-dibenzyl-2,2'-(2-aza-propanediyl)-di-malonic acid (871882-45-0) → 2-Benzyl-2-propenoic acid (5669-19-2)

2-(1-Benzyl-vinyl)-4,4-dimethyl-4,5-dihydro-oxazole (78763-98-1) → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With hydrogenchloride; water; acetic acid Heating; Yield given;

(+-)-2-benzyl-2-methanesulfonylmethyl-3-oxo-butyric acid ethyl ester → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With potassium hydroxide

methylammonium carbonate (15719-64-9, 15719-76-3, 97762-63-5) + <β-bromo-allyl>-benzene → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With diethyl ether; magnesium

methoxymethyl-benzyl-malonic acid ester → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
With hydrogenchloride; water; acetic acid

hydrogenchloride (7647-01-0) + benzyl-methoxymethyl-malonic acid (69858-92-0) → 2-Benzyl-2-propenoic acid (5669-19-2)

hydrogenchloride (7647-01-0) + benzyl-methoxymethyl-malonic acid diethyl ester (69858-85-1) + water (7732-18-5) + acetic acid (64-19-7) → 2-Benzyl-2-propenoic acid (5669-19-2)

disodium carbaprephenate → 2-Benzyl-2-propenoic acid (5669-19-2) + C11H8O4(2-)*2Na(1+)

Conditions	Yield
With 50 mmol/l Tris*HCl buffer; Bacillus subtilis chorismate mutase at 30℃; pH=8.6; Product distribution; Further Variations:; Reagents;

diethyl 2-benzylmalonate (607-81-8) → 2-Benzyl-2-propenoic acid (5669-19-2)

Conditions	Yield
Multi-step reaction with 2 steps 1.1: KOH / aq. methanol 2.1: p-formaldehyde; diethylamine / ethyl acetate 2.2: aq. KOH View Scheme
Multi-step reaction with 2 steps 1: KOH / ethanol / 4 h / 0 - 20 °C 2: Et3N / H2O / Heating View Scheme
Multi-step reaction with 2 steps 1: water; potassium hydroxide / ethanol / 10 h / 20 °C 2: dimethyl amine / Reflux View Scheme
Multi-step reaction with 2 steps 1: sodium hydroxide; water / 5 h / Reflux 2: diethylamine / ethyl acetate / 3 h / 0 °C / Reflux View Scheme
Multi-step reaction with 2 steps 1: sodium hydroxide / methanol; water / 20 °C / Inert atmosphere 2: diethylamine / ethyl acetate / 4 h / Inert atmosphere; Reflux View Scheme

methanol (67-56-1) + 2-Benzyl-2-propenoic acid (5669-19-2) → methyl 2-benzylacrylate (3070-71-1)

Conditions	Yield
With thionyl chloride at 0 - 20℃; for 18h;	100%
With boron trifluoride diethyl etherate for 14h; Heating;	94%

2-Benzyl-2-propenoic acid (5669-19-2) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 2-benzylacrylate (3070-71-1)

Conditions	Yield
In methanol; hexane; benzene at 20℃; for 0.5h;	100%
	89%

2-Benzyl-2-propenoic acid (5669-19-2) → 2-benzylpropenoyl chloride (88320-94-9)

Conditions	Yield
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane for 1.5h;	100%
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 0 - 15℃; for 2h; Solvent; Temperature; Reagent/catalyst; Industrial scale;	99.4%
With thionyl chloride at 20℃; for 3h;	96%

2-Benzyl-2-propenoic acid (5669-19-2) + thioacetic acid (507-09-5) → 3-acetylthio-2-benzylpropanoic acid (91702-98-6)

Conditions	Yield
In dichloromethane for 1152h;	99%
In tetrahydrofuran Heating;	96%
In benzene Heating;	77%

2-Benzyl-2-propenoic acid (5669-19-2) → 2-methyl-3-phenylpropionic acid (14367-67-0)

Conditions	Yield
With C54H72IrNP(1+)*C32H12BF24(1-); hydrogen; caesium carbonate In methanol at 45℃; under 4500.45 Torr; for 0.25h; Pressure; Glovebox;	99%
With disodium hydrogen phosphite pentahydrate; phosphite dehydrogenase; water; nicotinamide adenine dinucleotide phosphate; ene-reductase 36 at 25℃; pH=6.5; Catalytic behavior; Reagent/catalyst; pH-value; Temperature; Enzymatic reaction; enantioselective reaction;	99%
With C32H12BF24(1-)*C54H71IrNP(1+); hydrogen; caesium carbonate In methanol at 45℃; for 4h; optical yield given as %ee; enantioselective reaction;	98%
Stage #1: 2-Benzyl-2-propenoic acid With hydrogen; caesium carbonate; [(Sa-DTB-SIPHOX)Ir(COD)]BARF In methanol at 20℃; under 4500.45 Torr; for 12h; Stage #2: With hydrogenchloride In water pH=< 3; Product distribution / selectivity;	94%

2-Benzyl-2-propenoic acid (5669-19-2) → 2-methyl-3-phenylpropionic acid (1009-67-2, 5628-72-8, 14367-54-5, 14367-67-0)

Conditions	Yield
With C48H50Cl4N2O2P2Ru3; hydrogen; sodium hydrogencarbonate In methanol at 20℃; under 3750.38 Torr; for 24h; Autoclave; enantioselective reaction;	99%

2-Benzyl-2-propenoic acid (5669-19-2) + 2-(phenyl-λ3-iodaneylidene)cyclohexane-1,3-dione (86396-02-3) → 3-benzyl-7,8-dihydro-2H-chromene-2,5(6H)-dione (1000697-64-2)

Conditions	Yield
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium acetate at 80℃; for 12h; Catalytic behavior; Mechanism; Temperature; Reagent/catalyst; Sealed tube;	99%
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium acetate at 80℃; for 9h; Temperature; Reagent/catalyst;	99%

2-Benzyl-2-propenoic acid (5669-19-2) + (2,6-dioxo-4-phenylcyclohexyl)phenyliodonium inner salt (86396-05-6) → 3-benzyl-7-phenyl-7,8-dihydro-2H-chromene-2,5(6H)-dione

Conditions	Yield
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium acetate at 80℃; for 12h;	98%

2-Benzyl-2-propenoic acid (5669-19-2) + thioacetic acid (507-09-5) → 2-acetylthio-3-phenyl-propionic acid (149603-85-0)

Conditions	Yield
In CaCl2	95%

2-Benzyl-2-propenoic acid (5669-19-2) + 2-hydroxy-N,N-diiso-propylbenzamide (82860-53-5) → 2-(N,N-diisopropylcarbamoyl)phenyl 2-methylene-3-phenylpropionate

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In toluene at 80℃; for 9h;	95%

2-Benzyl-2-propenoic acid (5669-19-2) + diphenyl acetylene (501-65-5) → 3-benzyl-5,6-diphenyl-2H-pyran-2-one

Conditions	Yield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; tetrabutylammonium acetate In methanol at 60℃; for 12h; Electrochemical reaction;	95%
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; silver carbonate at 80℃; for 8h;	60%

2-Benzyl-2-propenoic acid (5669-19-2) + N-(cyclopentylsulfinyl)benzamide → 2-benzyl-3-cyclopentylpropanoic acid

Conditions	Yield
With dipotassium hydrogenphosphate; [Ir(ppy)2(dtbbpy)]PF6 In acetone at 0 - 40℃; for 6h; Michael Addition; Inert atmosphere; Irradiation;	93%

2-Benzyl-2-propenoic acid (5669-19-2) + 1-(prop-2-yn-1-yloxy)-(1,1'-biphenyl)-4(1H)-one → (Z)-2-benzyl-4-((E)-5-oxo-7a-phenyl-3a,4,5,7a-tetrahydrobenzofuran-3(2H)-ylidene)but-2-enoic acid

Conditions	Yield
With Cp*Rh(OAc)2·H2O In 1,2-dichloro-ethane at 60℃; for 9h; stereoselective reaction;	92%

2-Benzyl-2-propenoic acid (5669-19-2) + 1-(prop-2-yn-1-yloxy)-(1,1'-biphenyl)-4(1H)-one → C20H20O4

Conditions	Yield
With (pentamethylcyclopentadienyl)*Rh(OAc)2 In 1,2-dichloro-ethane at 60℃; for 9h;	92%

2-Benzyl-2-propenoic acid (5669-19-2) + 2,4-dimethyl-4-(prop-2-yn-1-yloxy)cyclohexa-2,5-dien-1-one → (Z)-2-benzyl-4-((E)-6,7a-dimethyl-5-oxo-3a,4,5,7a-tetrahydrobenzofuran-3(2H)-ylidene)but-2-enoic acid

Conditions	Yield
With Cp*Rh(OAc)2·H2O In 1,2-dichloro-ethane at 60℃; for 9h; stereoselective reaction;	91%

2-Benzyl-2-propenoic acid (5669-19-2) + 4'-bromo-1-(prop-2-yn-1-yloxy)-[1,1'-biphenyl]-4(1H)-one → (Z)-2-benzyl-4-((E)-7a-(4-bromophenyl)-5-oxo-3a,4,5,7a-tetrahydrobenzofuran-3(2H)-ylidene)but-2-enoic acid

Conditions	Yield
With Cp*Rh(OAc)2·H2O In 1,2-dichloro-ethane at 60℃; for 9h; stereoselective reaction;	91%

2-Benzyl-2-propenoic acid (5669-19-2) + 2,4-dimethyl-4-(prop-2-yn-1-yloxy)cyclohexa-2,5-dien-1-one → C21H22O4

Conditions	Yield
With (pentamethylcyclopentadienyl)*Rh(OAc)2 In 1,2-dichloro-ethane at 60℃; for 9h;	91%

2-Benzyl-2-propenoic acid (5669-19-2) → 2-methyl-3-phenylpropanoic acid (1009-67-2)

Conditions	Yield
With phenylsilane; C12H23N2O2P In tetrahydrofuran at 23℃; for 2h;	91%
With hydrogen

2-Benzyl-2-propenoic acid (5669-19-2) → 2-benzyl-3-(hydroxyhydrophosphoryl)propanoic acid (865703-11-3)

Conditions	Yield
With bis(trimethylsilyl)phosphonite In dichloromethane at 0 - 20℃; for 25h; Inert atmosphere;	91%

thioacetic acid (507-09-5) + 2-Benzyl-2-propenoic acid (5669-19-2) → 3-acetylthio-2-benzylpropanoic acid (91702-98-6)

Conditions	Yield
at 100℃; for 2h;	90%

2-Benzyl-2-propenoic acid (5669-19-2) + 7-methyl-7-(prop-2-yn-1-yloxy)-1,2,3,7-tetrahydro-4H-inden-4-one → (2Z,4E)-2-benzyl-4-(8b-methyl-5-oxo-4,5,6,7,8,8b-hexahydro-2H-indeno[4,5-b]furan-3(3aH)-ylidene)but-2-enoic acid

Conditions	Yield
With Cp*Rh(OAc)2·H2O In 1,2-dichloro-ethane at 60℃; for 9h; stereoselective reaction;	90%

2-Benzyl-2-propenoic acid (5669-19-2) + 7-methyl-7-(prop-2-yn-1-yloxy)-1,2,3,7-tetrahydro-4H-inden-4-one → C23H24O4

Conditions	Yield
With (pentamethylcyclopentadienyl)*Rh(OAc)2 In 1,2-dichloro-ethane at 60℃; for 9h;	90%

2-Benzyl-2-propenoic acid (5669-19-2) + (2,6-dioxo-4-methylcyclohexyl)phenyliodonium inner salt (86396-03-4) → 3-benzyl-7-methyl-7,8-dihydro-2H-chromene-2,5(6H)-dione

Conditions	Yield
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium acetate at 80℃; for 12h;	90%

2-Benzyl-2-propenoic acid (5669-19-2) + (1S,2R)-1-amino-2-indanol (7480-35-5, 13286-59-4, 74165-73-4, 126456-43-7, 136030-00-7, 140632-19-5, 140632-20-8) → 2-benzyl-N-[(1S,2R)-2-hydroxy-indan-1-yl]acrylamide (872703-52-1)

Conditions	Yield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine	89%
Stage #1: 2-Benzyl-2-propenoic acid With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In ethyl acetate at 20℃; for 0.5h; Stage #2: (1S,2R)-1-amino-2-indanol In ethyl acetate at 20℃;	68%

2-Benzyl-2-propenoic acid (5669-19-2) + 4-butyl-4-(prop-2-yn-1-yloxy)cyclohexa-2,5-dien-1-one → (Z)-2-benzyl-4-((E)-7a-butyl-5-oxo-3a,4,5,7a-tetrahydrobenzofuran-3(2H)-ylidene)but-2-enoic acid

Conditions	Yield
With Cp*Rh(OAc)2·H2O In 1,2-dichloro-ethane at 60℃; for 9h; stereoselective reaction;	88%

2-Benzyl-2-propenoic acid (5669-19-2) + tert-butyl 4-(benzamidosulfinyl)piperidine-1-carboxylate → 2-benzyl-3-(1-(tert-butoxycarbonyl)piperidin-4-yl)propanoic acid

Conditions	Yield
With dipotassium hydrogenphosphate; [Ir(ppy)2(dtbbpy)]PF6 In acetone at 0 - 40℃; for 5h; Michael Addition; Inert atmosphere; Irradiation;	87%

Upstream product

• 100-44-7 benzyl chloride 
• 300-57-2 allylbenzene 
• 20593-63-9 2-Benzylacrylic acid ethyl ester 
• 3070-71-1 methyl 2-benzylacrylate 
• 78763-98-1 2-(1-Benzyl-vinyl)-4,4-dimethyl-4,5-dihydro-oxazole 
• 28769-48-4 α-benzylacrylonitrile 
• 871882-45-0 2,2'-dibenzyl-2,2'-(2-aza-propanediyl)-di-malonic acid 
• 855653-03-1 benzyl-methanesulfonylmethyl-malonic acid diethyl ester 
• 24643-58-1 2-benzyl-2-carboxy-3-(dimethylamino)propionic acid 
• 408308-33-8 benzyl-methylaminomethyl-malonic acid 
• 69858-92-0 benzyl-methoxymethyl-malonic acid 
• 408308-23-6 aminomethyl-benzyl-malonic acid 
• 861356-96-9 benzyl-piperidinomethyl-malonic acid 
• 97-65-4 2-methylenesuccinic acid 

Downstream Products

• 30457-89-7 2-benzylallyl alcohol 
• 116111-79-6 (R)-3-(acetylthio)-2-benzylpropanoic acid 
• 124815-67-4 (S)-2-acetylthiomethyl-3-phenylpropanoic acid 
• 203246-90-6 2-bromomethyl-3-phenyl-propionic acid 
• 861324-45-0 2-bromo-2-bromomethyl-3-phenyl-propionic acid 
• 95176-68-4 phenylmethyl α-methylenebenzenepropanoate 
• 88320-94-9 2-benzylpropenoyl chloride 
• 872703-52-1 2-benzyl-N-[(1S,2R)-2-hydroxy-indan-1-yl]acrylamide 
• 910539-82-1 (2S)-2-benzyl-oxirane-[N-quinoline-2-amine-1-yl]-2-carboxylic acid amide 
• 910539-92-3 (2S)-2-benzyl-oxirane-2-carboxylic acid ((1S)-2,2-dimethyl-1-methylcarbamoylpropyl)-amide 
• 910539-94-5 (2R)-2-benzyl-oxirane-2-carboxylic acid ((1S)-2,2-dimethyl-1-methylcarbamoylpropyl)-amide 

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