Conditions | Yield |
---|---|
With aluminium(III) triflate; disodium 2,2'-bis(diphenylphosphino)-1,1'-binaphthalene-5,5'-disulfonate; palladium diacetate In methanol; water at 80 - 84℃; under 26252.6 Torr; | 100% |
With sodium hydroxide; cetyltrimethylammonim bromide; nickel cyanide In toluene at 90℃; under 760 Torr; for 3h; | 62% |
With sodium hydroxide; cetyltrimethylammonim bromide; nickel cyanide In toluene at 90℃; under 760 Torr; for 1h; Product distribution; Mechanism; other phase transfer catalyst, other times; |
Conditions | Yield |
---|---|
With lithium hydroxide monohydrate In tetrahydrofuran; water for 3h; Heating; | 100% |
With lithium hydroxide In tetrahydrofuran; water for 15h; Heating; | 97% |
With water; sodium hydroxide for 1h; Reflux; |
Conditions | Yield |
---|---|
With [bmim]PF6; triethylamine; bis-triphenylphosphine-palladium(II) chloride In water at 100℃; under 15001.2 Torr; for 30h; | 99% |
With sodium hydroxide; cetyltrimethylammonim bromide; nickel cyanide In toluene at 95℃; under 735.5 Torr; for 3h; | 65% |
2-phenyl-acrylic acid ethyl ester
2-phenylacrylic acid
Conditions | Yield |
---|---|
With potassium hydroxide In acetone at 20℃; for 16h; | 98% |
With sodium hydroxide In water for 1h; Reflux; | |
Stage #1: 2-phenyl-acrylic acid ethyl ester With lithium hydroxide monohydrate In tetrahydrofuran; water at 20℃; for 72h; Stage #2: With hydrogenchloride In tetrahydrofuran; water pH=1; |
Conditions | Yield |
---|---|
Stage #1: 1-bromovinylbenzene With lithium chloride; zinc Stage #2: carbon dioxide With lithium chloride In N,N-dimethyl-formamide at 50℃; under 760.051 Torr; for 24h; Stage #3: With hydrogenchloride; water In N,N-dimethyl-formamide | 97% |
Stage #1: carbon dioxide With o-phenylenebis(diphenylphosphine); copper(II) acetate monohydrate In 1,4-dioxane at 65℃; for 0.333333h; Schlenk technique; Stage #2: 1-bromovinylbenzene With palladium diacetate; triethylamine; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane; toluene at 100℃; for 16h; Schlenk technique; Sealed tube; | 89% |
Stage #1: carbon dioxide With o-phenylenebis(diphenylphosphine); copper(II) acetate monohydrate In 1,4-dioxane at 60℃; for 0.416667h; Schlenk technique; Stage #2: 1-bromovinylbenzene With palladium diacetate; triethylamine; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane; toluene at 100℃; for 5h; Schlenk technique; | 89% |
Conditions | Yield |
---|---|
With potassium hydroxide In water for 1h; Heating; | 90% |
With potassium hydroxide In water for 1h; Inert atmosphere; Reflux; | 90% |
Stage #1: Tropic acid With potassium hydroxide In water for 10h; Reflux; Stage #2: With hydrogenchloride In water | 64% |
carbon dioxide
4,4,5,5-tetramethyl-2-(1-phenylvinyl)-1,3,2-dioxaborolane
2-phenylacrylic acid
Conditions | Yield |
---|---|
With copper(l) iodide; cesium fluoride; sodium t-butanolate; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride at 120℃; for 24h; Sealed tube; | 89% |
Conditions | Yield |
---|---|
With bis(acetylacetonate)nickel(II); (R,R)-(+)-1,2-bis(t-butylmethylphosphino)benzene; acetic anhydride In tetrahydrofuran at 100℃; for 12h; Autoclave; Glovebox; Inert atmosphere; regioselective reaction; | 88% |
With bis(acetylacetonate)nickel(II); (R,R)-(+)-1,2-bis(t-butylmethylphosphino)benzene; acetic anhydride In tetrahydrofuran at 100℃; for 12h; Green chemistry; | 88% |
carbon monoxide
thiophenol
phenylacetylene
A
2-phenylacrylic acid
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid; palladium diacetate; 1,3-bis-(diphenylphosphino)propane In tetrahydrofuran at 110℃; under 15514.4 Torr; for 6h; | A 15% B 84% |
Conditions | Yield |
---|---|
With potassium methanolate; copper(l) chloride In N,N-dimethyl acetamide at 70℃; under 760.051 Torr; for 24h; Inert atmosphere; Schlenk technique; Sealed tube; | 82% |
With potassium methanolate; copper(l) chloride In N,N-dimethyl acetamide at 70℃; for 24h; Sealed tube; Schlenk technique; | 82% |
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); phenylsilane; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; triethylamine In N,N-dimethyl-formamide at 80℃; under 15001.5 Torr; for 12h; Autoclave; | 82% |
With tetrakis(triphenylphosphine) palladium(0); phenylsilane; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; triethylamine In N,N-dimethyl-formamide at 80℃; under 15001.5 Torr; for 12h; Catalytic behavior; Reagent/catalyst; regioselective reaction; | 82% |
Conditions | Yield |
---|---|
In tetrahydrofuran at -78℃; | 76% |
5,5-dimethyl-2-(1-phenylethen-1-yl)-1,3,2-dioxaborinane
carbon dioxide
2-phenylacrylic acid
Conditions | Yield |
---|---|
Stage #1: 5,5-dimethyl-2-(1-phenylethen-1-yl)-1,3,2-dioxaborinane; carbon dioxide With [Ni(N,N'-bis[2,6-bis(diphenylmethyl)-4-methylphenyl]imidazole-2-ylidene)(allyl)Cl]; potassium tert-butylate In toluene at 100℃; under 760.051 Torr; for 15h; Schlenk technique; Inert atmosphere; Stage #2: With hydrogenchloride In water; ethyl acetate; toluene at 20℃; | 75% |
Stage #1: 5,5-dimethyl-2-(1-phenylethen-1-yl)-1,3,2-dioxaborinane; carbon dioxide With copper(l) iodide; cesium fluoride In N,N-dimethyl-formamide at 90℃; under 760.051 Torr; for 10h; Stage #2: With hydrogenchloride; water In N,N-dimethyl-formamide | 60% |
Conditions | Yield |
---|---|
With hydrogenchloride; sodium chlorite; sodium dihydrogenphosphate; dihydrogen peroxide In acetonitrile at 10℃; for 1h; | 70% |
Conditions | Yield |
---|---|
With potassium hydroxide for 3h; Heating; | 68% |
With potassium hydroxide Heating; | 56% |
carbon dioxide
acetophenone p-toluenesulfonylhydrazone
2-phenylacrylic acid
Conditions | Yield |
---|---|
Stage #1: carbon dioxide; acetophenone p-toluenesulfonylhydrazone With caesium carbonate In dimethyl sulfoxide at 80℃; under 760.051 Torr; for 12h; Schlenk technique; Sealed tube; Green chemistry; Stage #2: With hydrogenchloride In water; dimethyl sulfoxide at 20℃; Reagent/catalyst; Solvent; Temperature; Schlenk technique; Sealed tube; Green chemistry; | 68% |
carbon dioxide
acetophenone p-toluenesulfonylhydrazone
A
2-phenylacrylic acid
B
1-methyl-4-((1-phenylethyl)sulfonyl)benzene
Conditions | Yield |
---|---|
With caesium carbonate In dimethyl sulfoxide at 80℃; under 760.051 Torr; for 12h; Schlenk technique; Sealed tube; | A 68% B n/a |
Conditions | Yield |
---|---|
With acetic anhydride; triethylamine In water | 61% |
Conditions | Yield |
---|---|
Stage #1: Bromoform; acetophenone With lithium hydroxide monohydrate; N-benzyl-N,N,N-triethylammonium chloride; water In tert-butyl alcohol at 20℃; for 24h; Stage #2: With hydrogenchloride In water pH=1; | 50% |
With N-benzyl-N,N,N-triethylammonium chloride; water; lithium hydroxide In tert-butyl alcohol at 20℃; |
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride; tetrabutylammonium tetrafluoroborate In N,N-dimethyl-formamide at 20℃; under 760 Torr; electrolyses, carbon cathode, Mg anode, E=-1.7 V; | 32% |
With nBuNBF4; bis-triphenylphosphine-palladium(II) chloride In N,N-dimethyl-formamide at 20℃; electrochemical reaction; | 32% |
carbon dioxide
1-bromovinylbenzene
N,N-dimethyl-formamide
A
styrene
B
2,3-diphenyl-1,3-butadiene
C
2-phenylacrylic acid
D
N, N-dimethyl-2-phenylacrylamide
Conditions | Yield |
---|---|
With tetrabutylammonium tetrafluoroborate; Ni(CO)2(2,2'-bipyridine) In various solvent(s) Product distribution; Mechanism; Ambient temperature; electrolysis, -1.6 V, further catalyst; | A 10 % Chromat. B 15 % Chromat. C 15% D 50 % Chromat. |
(+/-)-1-phenyl-1,2,3,4-tetrahydro-naphthalene-1r,4t-dicarboxylic acid di-tropane-3endo-yl ester
A
2-phenylacrylic acid
B
Tropanol
Conditions | Yield |
---|---|
With barium dihydroxide; ethanol; water weitere Nebenprodukt:β-Isatropasaeure; | |
With potassium hydroxide; ethanol weitere Nebenprodukt:β-Isatropasaeure; |
Conditions | Yield |
---|---|
With carbon dioxide |
Conditions | Yield |
---|---|
at 220℃; |
3-chloro-2-phenyl-propionic acid
2-phenylacrylic acid
Conditions | Yield |
---|---|
With sodium hydroxide |
Conditions | Yield |
---|---|
With hydrogenchloride | |
man destilliert im Quarzkolben unter vermindertem Druck; | |
With PPA for 5h; Ambient temperature; Yield given; | |
bei der Destillation unter vermindertem Druck im Quarzkolben; | |
Multi-step reaction with 2 steps 1: fuming hydrobromic acid 2: natrium carbonate View Scheme |
Conditions | Yield |
---|---|
With water |
2-ethoxy-2-phenylpropanoic acid
2-phenylacrylic acid
Conditions | Yield |
---|---|
With hydrogenchloride |
2-bromo-2-phenyl-propionic acid
2-phenylacrylic acid
Conditions | Yield |
---|---|
With sodium ethanolate | |
Multi-step reaction with 3 steps 1: natrium carbonate 2: fuming hydrobromic acid 3: natrium carbonate View Scheme |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; | 100% |
2-phenylacrylic acid
hydratropic acid
Conditions | Yield |
---|---|
With water for 1h; Catalytic behavior; UV-irradiation; | 99% |
With formic acid; triethylamine; N-tosylethylenediamine; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2 In dichloromethane at 30℃; for 2h; | 97% |
With phenylsilane; C12H23N2O2P In tetrahydrofuran at 23℃; for 2h; Catalytic behavior; Reagent/catalyst; Solvent; | 97% |
Conditions | Yield |
---|---|
With C48H50Cl4N2O2P2Ru3; hydrogen; sodium hydrogencarbonate In methanol at 20℃; under 3750.38 Torr; for 24h; Catalytic behavior; Reagent/catalyst; Pressure; Autoclave; enantioselective reaction; | 99% |
With C42H48CoP2; hydrogen; triethylamine; zinc In methanol at 50℃; under 25858.1 Torr; for 16h; enantioselective reaction; | 93% |
With BF4(1-)*C36H46O4P2Rh(1+); hydrogen In methanol at 20℃; under 7500.75 Torr; for 2h; optical yield given as %ee; |
Conditions | Yield |
---|---|
With benzene ruthenium dichloride; C50H40N3OP2(1+)*Cl(1-); hydrogen; triethylamine In methanol at 20℃; under 45603.1 Torr; for 12h; Inert atmosphere; Glovebox; | 99% |
With C54H68IrNP(1+)*C32H12BF24(1-); hydrogen; caesium carbonate In methanol at 45℃; under 4500.45 Torr; for 0.25h; Pressure; Temperature; Time; Glovebox; Sealed tube; | 97% |
With C54H72IrNP(1+)*C32H12BF24(1-); hydrogen; caesium carbonate In methanol at 45℃; under 4500.45 Torr; for 0.25h; Pressure; Glovebox; | 97% |
pyridine-2-carbaldehyde
Cyclohexyl isocyanide
2-phenylacrylic acid
4-methoxy-benzylamine
Conditions | Yield |
---|---|
In methanol at 20℃; for 48h; Ugi Condensation; | 99% |
Conditions | Yield |
---|---|
Stage #1: 2-phenylacrylic acid With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h; Stage #2: isopropyl alcohol With dmap; triethylamine In dichloromethane at 0 - 20℃; for 2h; | 99% |
Conditions | Yield |
---|---|
Stage #1: 2-phenylacrylic acid With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h; Stage #2: p-tert-butylbenzyl alcohol With dmap; triethylamine In dichloromethane at 0 - 20℃; for 2h; | 98% |
Conditions | Yield |
---|---|
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; tetrabutylammonium acetate In methanol at 60℃; for 12h; Electrochemical reaction; regioselective reaction; | 98% |
2-phenylacrylic acid
2-(tetrahydro-4H-pyran-4-ylidene)ethan-1-ol
Conditions | Yield |
---|---|
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 3h; Inert atmosphere; | 97% |
Conditions | Yield |
---|---|
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; tetrabutylammonium acetate In methanol at 60℃; for 12h; Electrochemical reaction; regioselective reaction; | 97% |
Conditions | Yield |
---|---|
Stage #1: 2-phenylacrylic acid With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h; Stage #2: benzyl alcohol With dmap; triethylamine In dichloromethane at 0 - 20℃; for 2h; | 96% |
Conditions | Yield |
---|---|
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 3h; Inert atmosphere; | 96% |
2-phenylacrylic acid
pent-1-yne-1,5-diyldibenzene
Conditions | Yield |
---|---|
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; tetrabutylammonium acetate In methanol at 60℃; for 12h; Electrochemical reaction; regioselective reaction; | 96% |
Conditions | Yield |
---|---|
With benzenesulfonic acid In benzene Heating; | 95% |
Stage #1: 2-phenylacrylic acid With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h; Stage #2: ethanol With dmap; triethylamine In dichloromethane at 0 - 20℃; for 2h; | 89% |
With sulfuric acid for 12h; Reflux; | |
Acidic conditions; |
2-phenylacrylic acid
diphenyl acetylene
3,5,6-triphenyl-(2H)-pyran-2-one
Conditions | Yield |
---|---|
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; tetrabutylammonium acetate In methanol at 60℃; for 12h; Solvent; Temperature; Reagent/catalyst; Electrochemical reaction; | 95% |
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; silver carbonate In N,N-dimethyl-formamide at 120℃; Inert atmosphere; | 77% |
With dichloro[1,3-di(ethoxycarbonyl)-2,4,5-trimethylcyclopentadienyl]rhodium(III) dimer; copper(II) acetate monohydrate; silver(I) triflimide In dichloromethane at 20℃; for 24h; Sealed tube; | 67% |
2-phenylacrylic acid
di-tert-butyl dicarbonate
tert-butyl 2-phenylacrylate
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 20℃; | 95% |
Conditions | Yield |
---|---|
With dmap; di-tert-butyl dicarbonate at 20℃; for 12h; | 94% |
2-phenylacrylic acid
A
(S)-2-Phenylpropionic acid
B
(R)-2-Phenylpropionic acid
Conditions | Yield |
---|---|
With hydrogen; (S)-Ru(OAc)2-BINAP In methanol at 15 - 30℃; under 85120.1 Torr; for 24h; Title compound not separated from byproducts; | A 92% B 8% |
With hydrogen; 2; triethylamine In tetrahydrofuran under 760 Torr; for 1h; Product distribution; Ambient temperature; different chiral catalysts; | |
With (bicyclo<2.2.1>heptadiene) <(R)-trans-4,5-bis<(diphenylphosphino)methyl>-2,2-dimethyldioxolan>rhodium(I) tetrafluoroborate; hydrogen; triethylamine at 20℃; under 760 Torr; Product distribution; Mechanism; var. solvents and α,β-unsaturated acids and amides; |
N-(2-pyrimidyl)indole
2-phenylacrylic acid
Conditions | Yield |
---|---|
With bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate; 2,2-dimethylpropanoic anhydride In toluene at 140℃; for 2h; Inert atmosphere; regioselective reaction; | 92% |
2-phenylacrylic acid
Conditions | Yield |
---|---|
With di(rhodium)tetracarbonyl dichloride; 2,2-dimethylpropanoic anhydride In toluene at 140℃; Sealed tube; | 92% |
2-phenylacrylic acid
Conditions | Yield |
---|---|
With di(rhodium)tetracarbonyl dichloride; 2,2-dimethylpropanoic anhydride In toluene at 140℃; Sealed tube; | 92% |
2-phenylacrylic acid
Benzenesulfinic acid
2-(phenylsulfonyl)acetophenone
Conditions | Yield |
---|---|
With oxygen; copper(ll) bromide In N,N-dimethyl-formamide at 20℃; for 2h; Inert atmosphere; | 92% |
Conditions | Yield |
---|---|
With copper(II) choride dihydrate; oxygen In N,N-dimethyl-formamide at 60℃; under 760.051 Torr; for 4h; Reagent/catalyst; Solvent; Temperature; Schlenk technique; | 92% |
2-phenylacrylic acid
N-hydroxy-N-phenyl-carbamic acid methyl ester
Conditions | Yield |
---|---|
With copper dichloride; oxygen-18 In N,N-dimethyl-formamide at 60℃; under 760.051 Torr; for 4h; Schlenk technique; Inert atmosphere; | 92% |
Conditions | Yield |
---|---|
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; tetrabutylammonium acetate In methanol at 60℃; for 12h; Electrochemical reaction; | 92% |
Product Name: Atropic acid (CAS NO.492-38-6)
Molecular Formula: C9H8O2
Molecular Weight: 148.16g/mol
Mol File: 492-38-6.mol
Einecs: 207-753-6
Boiling point: 267.8 °C at 760 mmHg
Flash Point: 174.5 °C
Density: 1.14 g/cm3
Surface Tension: 43.8 dyne/cm
Enthalpy of Vaporization: 53.44 kJ/mol
Vapour Pressure: 0.00395 mmHg at 25°C
Structure Descriptors of Atropic acid (CAS NO.492-38-6):
InChI : InChI=1/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11)
Smiles: c1ccccc1C(=C)C(=O)O
Product Categories: Pharmaceutical Intermediates
Safety Information of Atropic acid (CAS NO.492-38-6):
Risk Statements: 36/37/38
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
Atropic acid ,its CAS NO. is 492-38-6,the synonyms is 2-Phenylacrylic acid ; 2-Propenoic acid, 2-phenyl- ; Acrylic acid, 2-phenyl- ; EINECS 207-753-6 ; NSC 20987 ; alpha-Phenyl acrylic acid ; alpha-Toluic acid, alpha-methylene- ; Benzeneacetic acid, alpha-methylene- .
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