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CAS No.: | 183322-16-9 |
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Name: | Ethyl 3,4-bis(2-methoxyethoxy)benzoate |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C15H22O6 |
Molecular Weight: | 298.336 |
Synonyms: | 3,4-Bis(2-methoxyethoxy)benzoic acid ethyl ester; |
EINECS: | 605-991-9 |
Density: | 1.102 g/cm3 |
Melting Point: | 55-58 °C |
Boiling Point: | 401.7 °C at 760 mmHg |
Flash Point: | 175.5 °C |
PSA: | 63.22000 |
LogP: | 1.91370 |
Ethyl protocatechuate
2-Bromoethyl methyl ether
3,4-bis(2-methoxyethoxy)benzoic acid ethyl ester
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In acetone at 60℃; for 19h; Inert atmosphere; | 100% |
With potassium carbonate In acetone at 20 - 70℃; for 24h; | 93% |
With tetra-(n-butyl)ammonium iodide; potassium carbonate In acetone for 64h; Inert atmosphere; Reflux; | 93% |
3,4-bis(2-methoxyethoxy)-benzoic acid
ethanol
3,4-bis(2-methoxyethoxy)benzoic acid ethyl ester
Conditions | Yield |
---|---|
With sulfuric acid Cooling with ice; Reflux; | 98% |
2-chloroethyl methyl ether
Ethyl protocatechuate
3,4-bis(2-methoxyethoxy)benzoic acid ethyl ester
Conditions | Yield |
---|---|
With 4-(Methylamino)pyridine; potassium carbonate at 90 - 95℃; Temperature; Reagent/catalyst; | 95% |
With carbon dioxide; ammonia at 50℃; for 0.5h; Temperature; Reagent/catalyst; | 94.6% |
With potassium tert-butylate; potassium iodide In N,N-dimethyl-formamide at 100℃; for 12h; | 87% |
With tetra-(n-butyl)ammonium iodide; potassium carbonate In acetone for 120h; Heating; | |
With potassium carbonate In N,N-dimethyl-formamide at 90 - 100℃; for 9h; | 95 %Chromat. |
2-methoxyethyl methanesulfonate
Ethyl protocatechuate
3,4-bis(2-methoxyethoxy)benzoic acid ethyl ester
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; potassium carbonate In toluene for 6h; Reflux; | 95% |
With potassium tert-butylate; tetrabutylammomium bromide In N,N-dimethyl-formamide at 30 - 40℃; for 10h; | 90.5% |
Ethyl protocatechuate
2-methoxy-ethyl p-toluenesulfonyloxy ester
3,4-bis(2-methoxyethoxy)benzoic acid ethyl ester
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile for 6h; Reflux; | 89% |
With potassium carbonate In acetonitrile for 6h; Reflux; | 89% |
Ethyl protocatechuate
2-Bromoethyl methyl ether
3,4-bis(2-methoxyethoxy)benzoic acid ethyl ester
Conditions | Yield |
---|---|
With potassium carbonate In acetone |
3,4-Dihydroxybenzoic acid
3,4-bis(2-methoxyethoxy)benzoic acid ethyl ester
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sulfuric acid / 10 h / 40 - 80 °C 2: potassium tert-butylate; potassium iodide / N,N-dimethyl-formamide / 12 h / 100 °C View Scheme |
3,4-bis(2-methoxyethoxy)benzoic acid ethyl ester
2-nitro-4,5-bis(2-methoxyethoxy)benzoic acid ethyl ester
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid In acetic acid at 20 - 70℃; for 2h; | 100% |
With sulfuric acid; nitric acid In acetic acid at 15 - 35℃; | 100% |
With sulfuric acid; nitric acid; acetic anhydride; acetic acid at 40℃; for 2h; Concentration; Large scale; | 98.3% |
3,4-bis(2-methoxyethoxy)benzoic acid ethyl ester
Conditions | Yield |
---|---|
Stage #1: 3,4-bis(2-methoxyethoxy)benzoic acid ethyl ester In tetrahydrofuran for 0.5h; Reflux; Stage #2: With peracetic acid; dinitrogen monoxide In tetrahydrofuran at 50℃; under 22502.3 Torr; for 2h; Reagent/catalyst; Temperature; Autoclave; | 95.2% |
3,4-bis(2-methoxyethoxy)benzoic acid ethyl ester
3,4-bis(2-methoxyethoxy)-benzoic acid
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol; water at 20℃; for 3h; | 90% |
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The Ethyl 3,4-bis(2-methoxyethoxy)benzoate with cas registry number of 183322-16-9, has the systematic name of ethyl 3,4-bis(2-methoxyethoxy)benzoate. And it is also named benzoic acid, 3,4-bis(2-methoxyethoxy)-, ethyl ester.
Physical properties about this chemical are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 63.22 Å2; (7)Index of Refraction: 1.488; (8)Molar Refractivity: 78.03 cm3; (9)Molar Volume: 270.5 cm3; (10)Polarizability: 30.93×10-24cm3; (11)Surface Tension: 36.1 dyne/cm; (12)Enthalpy of Vaporization: 65.28 kJ/mol; (13)Vapour Pressure: 1.15E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cc(OCCOC)c(OCCOC)cc1;
(2)InChI: InChI=1/C15H22O6/c1-4-19-15(16)12-5-6-13(20-9-7-17-2)14(11-12)21-10-8-18-3/h5-6,11H,4,7-10H2,1-3H3;
(3)InChIKey: VGFZRAVMWXHEJB-UHFFFAOYAU;
(4)Std. InChI: InChI=1S/C15H22O6/c1-4-19-15(16)12-5-6-13(20-9-7-17-2)14(11-12)21-10-8-18-3/h5-6,11H,4,7-10H2,1-3H3;
(5)Std. InChIKey: VGFZRAVMWXHEJB-UHFFFAOYSA-N