Conditions | Yield |
---|---|
With quaternary ammonium salt anion exchange resin In water at 30℃; for 4h; Temperature; Inert atmosphere; | 98% |
With triethylamine at 20℃; for 8h; Reagent/catalyst; Large scale; | 98% |
With aluminum oxide; potassium fluoride In acetonitrile at 20℃; for 18h; Michael addition reaction; | 90% |
Conditions | Yield |
---|---|
In ethanol at 40℃; for 3h; Inert atmosphere; | 97.6% |
Conditions | Yield |
---|---|
With sulfuric acid; acetic anhydride | 92% |
Conditions | Yield |
---|---|
With 10H-phenothiazine In methanol at 40 - 100℃; for 2h; | 86% |
Conditions | Yield |
---|---|
With 10H-phenothiazine; potassium ethoxide at 40 - 80℃; for 2h; Reagent/catalyst; | 86% |
ethyl 2-bromo-3-ethoxypropanoate
ethyl 3-ethoxypropionate
Conditions | Yield |
---|---|
With sodium diethyl phosphate for 5h; Ambient temperature; | 72% |
sodium ethanolate
hexyl-methyl-ketone
ethyl acrylate
A
ethyl 3-ethoxypropionate
B
4-pentyl-1,3-cyclohexanedione
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 1h; | A 30% B 58% |
acetone
ethyl acrylate
A
ethyl 3-ethoxypropionate
B
ethyl 3-(2,4-dioxocyclohexyl)propanoate
C
1,3-cylohexanedione
Conditions | Yield |
---|---|
With sodium hydride In toluene at -10 - 20℃; for 2h; Michael-Claisen cyclization; Inert atmosphere; regioselective reaction; | A 8% B 54% C 3% |
With sodium hydride at -10 - 20℃; for 0.0833333h; Michael-Claisen cyclization; Inert atmosphere; neat (no solvent); regioselective reaction; | A 6% B 39% C 9% |
2-(2'-Ethoxycarbonylethyl)-saccharin
sodium ethanolate
A
ethyl 3-ethoxypropionate
B
saccharin
Conditions | Yield |
---|---|
In ethanol Heating; | A n/a B 50% |
Conditions | Yield |
---|---|
With sulfuric acid | |
(i), (ii) (esterification); Multistep reaction; |
Conditions | Yield |
---|---|
With diethyl ether |
Conditions | Yield |
---|---|
With sulfuric acid | |
With sulfuric acid |
formaldehyde diethyl acetal
bromo(2-ethoxy-2-oxoethyl)zinc
ethyl 3-ethoxypropionate
Conditions | Yield |
---|---|
With acetyl chloride |
Conditions | Yield |
---|---|
With potassium hydroxide |
3-phenoxypropionic acid ethyl ester
sodium ethanolate
ethyl 3-ethoxypropionate
Conditions | Yield |
---|---|
In ethanol |
Conditions | Yield |
---|---|
With tetraethylammoniumcyanide In acetonitrile |
Conditions | Yield |
---|---|
With sodium hydroxide; cetyltrimethylammonim bromide In dichloromethane | 70 % Chromat. |
ethanol
ethyl acrylate
A
4-oxopimelate
B
ethyl 3-ethoxypropionate
C
Ethyl propionate
Conditions | Yield |
---|---|
With potassium tetracarbonylhydridoferrate at 70℃; for 30h; | A 3 mmol B 3 mmol C 27 mmol D n/a |
With potassium tetracarbonylhydridoferrate at 70℃; for 30h; | A n/a B 3 mmol C 27 mmol D 3 mmol |
ethanol
ethyl acrylate
A
4-oxopimelate
B
ethyl 3-ethoxypropionate
C
Ethyl propionate
D
Diethyl methylmalonate
Conditions | Yield |
---|---|
With potassium tetracarbonylhydridoferrate at 70℃; for 30h; Product distribution; time, atmosphere; |
Conditions | Yield |
---|---|
at 80 - 100℃; und Behandeln mit kalter verd.Saeure; |
Conditions | Yield |
---|---|
With ethanol at 95 - 105℃; unter Druck; |
ethanol
ethyl acrylate
A
ethyl 3-ethoxyacrylate
B
ethyl 3-ethoxypropionate
C
ethyl 3,3-diethoxypropanoate
Conditions | Yield |
---|---|
With carbon dioxide; oxygen; copper(l) chloride; dichloro bis(acetonitrile) palladium(II) at 40℃; under 97507.8 Torr; for 12h; | A 6.0 % Chromat. B 5.6 % Chromat. C 75.8 % Chromat. |
Conditions | Yield |
---|---|
sodium hydroxide In water at 220℃; under 2585.81 Torr; for 1.6h; Product distribution / selectivity; | 5 - 50 %Chromat. |
calcium hydroxide In water at 220℃; under 2585.81 Torr; for 1.6h; Product distribution / selectivity; | 5 - 50 %Chromat. |
magnesium hydroxide In water at 220℃; under 2585.81 Torr; for 1.6h; Product distribution / selectivity; | 5 - 50 %Chromat. |
3-bromo-1,1,1-trichloro-3-ethoxy-propane
ethyl 3-ethoxypropionate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: LiAlH4 / diethyl ether 2: aq. KOH View Scheme |
Conditions | Yield |
---|---|
Stage #1: ethyl 3-ethoxypropionate; formic acid ethyl ester With sodium ethanolate In tetrahydrofuran at 20℃; for 1h; Stage #2: With dimethyl sulfate In tetrahydrofuran at 50℃; for 2h; | 100% |
Conditions | Yield |
---|---|
With 1,1,3,3-Tetramethyldisiloxane; (Ace)Ru3(CO)7 In dichloromethane at 20℃; for 20h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With 1,1,3,3-Tetramethyldisiloxane; (Ace)Ru3(CO)7 In dichloromethane at 20℃; for 20h; Inert atmosphere; | 99% |
ethyl 3-ethoxypropionate
4-methyl-N-pentylbenzenesulfonamide
C17H29NO3S
Conditions | Yield |
---|---|
With 1,1,3,3-Tetramethyldisiloxane; (Ace)Ru3(CO)7 In dichloromethane at 20℃; for 20h; Inert atmosphere; | 99% |
ethyl 3-ethoxypropionate
4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
C17H27NO3S
Conditions | Yield |
---|---|
With 1,1,3,3-Tetramethyldisiloxane; (Ace)Ru3(CO)7 In dichloromethane at 20℃; for 20h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With 1,1,3,3-Tetramethyldisiloxane; (Ace)Ru3(CO)7 In dichloromethane at 20℃; for 20h; Inert atmosphere; | 99% |
ethyl 3-ethoxypropionate
3-Ethoxypropionsaeurehydrazid
Conditions | Yield |
---|---|
With hydrazine In ethanol; water Reflux; | 85% |
Conditions | Yield |
---|---|
With magnesium; copper(II) oxide In tetrahydrofuran at 65℃; for 4h; Barbier Coupling Reaction; chemoselective reaction; | 83% |
With magnesium; copper(II) oxide In tetrahydrofuran at 65℃; for 4h; chemoselective reaction; | 83% |
ethyl 3-ethoxypropionate
para-bromotoluene
3-ethoxy-1,1-di(p-tolyl)propan-1-ol
Conditions | Yield |
---|---|
With magnesium; copper(II) oxide In tetrahydrofuran at 65℃; for 4h; Barbier Coupling Reaction; chemoselective reaction; | 77% |
With magnesium; copper(II) oxide In tetrahydrofuran at 65℃; for 4h; chemoselective reaction; | 77% |
2,3-Diaminopyridine
ethyl 3-ethoxypropionate
2-(2-ethoxyethyl)-3H-imidazo[4,5-b]pyridine
Conditions | Yield |
---|---|
With lithium bromide at 110 - 115℃; for 9h; Neat (no solvent); | 75% |
Conditions | Yield |
---|---|
With 1,1,3,3-Tetramethyldisiloxane; (Ace)Ru3(CO)7 In dichloromethane at 20℃; for 20h; Inert atmosphere; | 72% |
ethyl 3-ethoxypropionate
1,2-diamino-benzene
2-(2-ethoxy-ethyl)-1H-benzimidazole
Conditions | Yield |
---|---|
With lithium bromide at 110 - 115℃; for 10h; Neat (no solvent); | 70% |
With hydrogenchloride |
Conditions | Yield |
---|---|
With 2,2,6,6-tetramethyl-piperidine; n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.166667h; | 67% |
Conditions | Yield |
---|---|
With iron(II) triflate at 0 - 80℃; under 760.051 Torr; for 1h; Autoclave; | 62% |
ethyl 3-ethoxypropionate
dimethyl sulfate
formic acid ethyl ester
(Z)-ethyl-2-(ethoxymethyl)-3-methoxyacrylate
Conditions | Yield |
---|---|
Stage #1: ethyl 3-ethoxypropionate; formic acid ethyl ester With ethanol; sodium In benzene at 0℃; for 2h; Claisen condensation; Stage #2: dimethyl sulfate In benzene at 50℃; for 3h; | 58% |
Stage #1: ethyl 3-ethoxypropionate; formic acid ethyl ester With sodium ethanolate In toluene at 0℃; for 2h; Inert atmosphere; Stage #2: dimethyl sulfate In toluene at 0 - 50℃; for 12h; Inert atmosphere; | 52% |
Stage #1: ethyl 3-ethoxypropionate; formic acid ethyl ester With ethanol; sodium In benzene at 0 - 20℃; for 2h; Stage #2: dimethyl sulfate In benzene at 50℃; for 3h; Stage #3: With triethylamine hydrochloride; sodium hydroxide In benzene for 4h; | 33% |
(i) NaOEt, EtOH, (ii) /BRN= 635994/; Multistep reaction; | |
Stage #1: ethyl 3-ethoxypropionate; formic acid ethyl ester With sodium In ethanol; benzene at 0℃; for 2h; Stage #2: dimethyl sulfate In ethanol; benzene at 50℃; for 3h; |
Conditions | Yield |
---|---|
Stage #1: ethyl 3-ethoxypropionate; formic acid ethyl ester With sodium In ethanol; hexane at 0 - 20℃; for 3h; Stage #2: With triethylamine hydrochloride; sodium hydroxide at 20℃; for 4h; | 56% |
Conditions | Yield |
---|---|
Stage #1: 2-bromo-pyridine With n-butyllithium In diethyl ether; hexane at -78℃; for 0.5h; Stage #2: ethyl 3-ethoxypropionate In diethyl ether; hexane at -78℃; for 1h; | 54% |
Stage #1: 2-bromo-pyridine With n-butyllithium In diethyl ether; hexane at -78℃; for 0.5h; Stage #2: ethyl 3-ethoxypropionate In diethyl ether; hexane at -78℃; for 1h; | 54% |
ethyl 3-ethoxypropionate
A
glyoxylic acid ethyl ester
B
3-oxo-propionic acid ethyl ester
C
acetaldehyde
E
formic acid ethyl ester
Conditions | Yield |
---|---|
With dodecane; methyl nitrite; nitrogen(II) oxide at 23.9℃; under 760 Torr; Rate constant; Product distribution; Mechanism; Irradiation; | A 25% B 4.8% C 4.9% D 30% E 37% |
ethyl 3-ethoxypropionate
dimethyl sulfate
formic acid ethyl ester
(Z)-ethyl-2-(ethoxymethyl)-3-methoxyacrylate
Conditions | Yield |
---|---|
Stage #1: ethyl 3-ethoxypropionate; formic acid ethyl ester With sodium In ethanol; hexane at 0 - 20℃; Stage #2: dimethyl sulfate In hexane at 50℃; for 2h; Cooling with ice; Stage #3: With triethylamine hydrochloride; sodium hydroxide In hexane at 20℃; for 4h; | 37% |
Stage #1: ethyl 3-ethoxypropionate; formic acid ethyl ester With ethanol; sodium In hexane at 0 - 20℃; Stage #2: dimethyl sulfate In hexane at 50℃; for 2h; Cooling with ice; | 37% |
Stage #1: ethyl 3-ethoxypropionate; formic acid ethyl ester With ethanol; sodium In benzene at 0℃; for 2h; Stage #2: dimethyl sulfate In benzene at 50℃; for 3h; Stage #3: With triethylamine hydrochloride; sodium hydroxide In benzene for 4h; | 33% |
Stage #1: ethyl 3-ethoxypropionate; dimethyl sulfate; formic acid ethyl ester With ethanol; sodium In benzene at 0 - 50℃; for 5h; Stage #2: With triethylamine hydrochloride; sodium hydroxide In benzene for 4h; | 33% |
Stage #1: ethyl 3-ethoxypropionate; formic acid ethyl ester With sodium ethanolate In hexane at 0 - 20℃; Stage #2: dimethyl sulfate In hexane at 50℃; for 2h; Cooling with ice; |
4-cyclopentylamino-2-methylsulfanyl-pyrimidine-5-carbaldehyde
ethyl 3-ethoxypropionate
8-cyclopentyl-6-ethoxymethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
Conditions | Yield |
---|---|
Stage #1: ethyl 3-ethoxypropionate With lithium hexamethyldisilazane In tetrahydrofuran Stage #2: 4-cyclopentylamino-2-methylsulfanyl-pyrimidine-5-carbaldehyde In tetrahydrofuran for 24h; | 35% |
In tetrahydrofuran; ethyl acetate | 34.9% |
Conditions | Yield |
---|---|
Stage #1: ethyl 3-ethoxypropionate; formic acid ethyl ester With ethanol; sodium In benzene at 0 - 20℃; for 2h; Stage #2: dimethyl sulfate In benzene at 50℃; for 3h; Stage #3: With sodium hydroxide; water; triethylamine hydrochloride In benzene for 4h; | 33% |
The Ethyl .beta.-ethoxypropionate, with the CAS registry number 763-69-9, has the IUPAC name of ethyl 3-ethoxypropanoate. For a kind of clear liquid with an ester-like odor, this chemical is stable under normal temperatures and pressures but incompatibilities with strong oxidizing agents and it could react with acids to liberate heat along with alcohols and acids.
The characteristics of this chemical are as below: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.25; (6)ACD/BCF (pH 7.4): 5.25; (7)ACD/KOC (pH 5.5): 113.99; (8)ACD/KOC (pH 7.4): 113.99; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 37.99 cm3; (15)Molar Volume: 153.9 cm3; (16)Polarizability: 15.06 ×10-24 cm3; (17)Surface Tension: 28.3 dyne/cm; (18)Density: 0.949 g/cm3; (19)Flash Point: 52.2 °C; (20)Enthalpy of Vaporization: 40.27 kJ/mol; (21)Boiling Point: 166.2 °C at 760 mmHg; (22)Vapour Pressure: 1.8 mmHg at 25°C; (23)Exact Mass: 146.094294; (24)MonoIsotopic Mass: 146.094294; (25)Topological Polar Surface Area: 35.5; (26)Heavy Atom Count: 10; (27)Complexity: 90.9.
When you are dealing with this chemical, you should be careful. For one part, it is irritant which may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes and may then cause explosive peroxides. For another part, it is dangerous for the environment which may present an immediate or delayed danger to one or more components of the environment. When you are contacting, avoid contacting with eyes directly.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCOCCC(=O)OCC
(2)InChI: InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3
(3)InChIKey: BHXIWUJLHYHGSJ-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 10mL/kg (10mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
rat | LD50 | oral | 5gm/kg (5000mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. |
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