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| CAS No.: | 13078-21-2 |
|---|---|
| Name: | ETHYL 2-METHOXYPHENOXYACETATE |
| Molecular Structure: | |
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| Formula: | C11H14O4 |
| Molecular Weight: | 210.23 |
| Synonyms: | Aceticacid, (2-methoxyphenoxy)-, ethyl ester (9CI);Acetic acid, (o-methoxyphenoxy)-,ethyl ester (6CI,7CI,8CI);Ethyl 2-(2-methoxyphenoxy)acetate;Ethyl (2-methoxyphenoxy)acetate;AC1L34QH;AC1Q65CB;CID83114; |
| EINECS: | 235-977-4 |
| Density: | 1.103 g/cm3 |
| Boiling Point: | 278.7 °C at 760 mmHg |
| Flash Point: | 118 °C |
| PSA: | 44.76000 |
| LogP: | 1.63710 |
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| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone Reflux; | 99% |
| Stage #1: 2-methoxy-phenol With potassium carbonate In acetone at 20℃; for 0.25h; Inert atmosphere; Stage #2: ethyl bromoacetate In acetone at 0℃; for 8h; Inert atmosphere; Reflux; | 90% |
| Stage #1: 2-methoxy-phenol With potassium carbonate In acetone at 20℃; for 0.25h; Stage #2: ethyl bromoacetate In acetone at 20 - 65℃; | 90% |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid at 20℃; | 92% |
| With toluene-4-sulfonic acid for 5h; Heating; |
- 105-39-5
chloroacetic acid ethyl ester
- 90-05-1
2-methoxy-phenol
- 13078-21-2
ethyl 2-(2-methoxyphenoxy)acetate
| Conditions | Yield |
|---|---|
| With ethanol; sodium | |
| With potassium carbonate; potassium iodide In acetone | |
| With potassium carbonate In acetone for 15h; Heating; |
- 10535-17-8
1-(3,4-dimethoxyphenyl)-2-(methoxyphenoxy)propane-1,3-diol
- 13078-21-2
ethyl 2-(2-methoxyphenoxy)acetate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium formate / water / 15 h / 110 °C 2: potassium carbonate / acetonitrile View Scheme | |
| Multi-step reaction with 3 steps 1: water / 15 h / 110 °C 2: zinc; formic acid / water / 7 h / 110 °C / Sealed tube 3: potassium carbonate / acetonitrile View Scheme | |
| Multi-step reaction with 3 steps 1: zinc / water / 7 h / 100 °C / Sealed tube 2: zinc; formic acid / water / 7 h / 110 °C / Sealed tube 3: potassium carbonate / acetonitrile View Scheme |
- 13078-21-2
ethyl 2-(2-methoxyphenoxy)acetate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: zinc; formic acid / water / 7 h / 110 °C / Sealed tube 2: potassium carbonate / acetonitrile View Scheme |
- 56122-34-0
1-(4-hydroxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
- 13078-21-2
ethyl 2-(2-methoxyphenoxy)acetate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: formic acid; sodium formate / water / 110 °C 2: potassium carbonate / acetonitrile View Scheme |
- 13078-21-2
ethyl 2-(2-methoxyphenoxy)acetate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: nano-Pd1Ni4 /MIL-100(Fe) / water / 6 h / 130 °C / Inert atmosphere 2.1: potassium carbonate / acetone / 0.25 h / 20 °C 2.2: 20 - 65 °C View Scheme |
- 14385-48-9
2-(2-methoxyphenoxy)-acetophenone
- 13078-21-2
ethyl 2-(2-methoxyphenoxy)acetate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: sodium tetrahydroborate / methanol / 4 h / 25 °C 2.1: nano-Pd1Ni4 /MIL-100(Fe) / water / 6 h / 130 °C / Inert atmosphere 3.1: potassium carbonate / acetone / 0.25 h / 20 °C 3.2: 20 - 65 °C View Scheme |
- 13078-21-2
ethyl 2-(2-methoxyphenoxy)acetate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: sodium tetrahydroborate / methanol / 4 h / 25 °C 2.1: nano-Pd1Ni4 /MIL-100(Fe) / water / 6 h / 150 °C / Inert atmosphere 3.1: potassium carbonate / acetone / 0.25 h / 20 °C 3.2: 20 - 65 °C View Scheme |
- 19513-80-5
2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethan-1-one
- 13078-21-2
ethyl 2-(2-methoxyphenoxy)acetate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: sodium tetrahydroborate / methanol / 4 h / 25 °C 2.1: nano-Pd1Ni4 /MIL-100(Fe) / water / 6 h / 150 °C / Inert atmosphere 3.1: potassium carbonate / acetone / 0.25 h / 20 °C 3.2: 20 - 65 °C View Scheme |
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Specification
The Acetic acid,2-(2-methoxyphenoxy)-, ethyl ester with CAS registry number of 13078-21-2 is also known as Ethyl (2-methoxyphenoxy)acetate. The IUPAC name is Ethyl 2-(2-methoxyphenoxy)acetate. Its EINECS registry number is 235-977-4. In addition, the formula is C11H14O4 and the molecular weight is 210.23.
Physical properties about Acetic acid,2-(2-methoxyphenoxy)-, ethyl ester are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.86; (6)ACD/BCF (pH 7.4): 12.86; (7)ACD/KOC (pH 5.5): 216.55; (8)ACD/KOC (pH 7.4): 216.55; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 55.28 cm3; (15)Molar Volume: 190.4 cm3; (16)Polarizability: 21.91×10-24cm3; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.103 g/cm3; (19)Flash Point: 118 °C; (20)Enthalpy of Vaporization: 51.74 kJ/mol; (21)Boiling Point: 278.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00419 mmHg at 25 °C.
Uses of Acetic acid,2-(2-methoxyphenoxy)-, ethyl ester: it is used to produce (2-Methoxy-phenoxy)-acetic acid hydrazide. The reaction occurs with reagent Hydrazine hydrate and solvent Ethanol. Besides, the reaction needs other condition of heating for 12 hours. The yield is 65%.
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You can still convert the following datas into molecular structure:
1. SMILES: O=C(OCC)COc1ccccc1OC
2. InChI: InChI=1/C11H14O4/c1-3-14-11(12)8-15-10-7-5-4-6-9(10)13-2/h4-7H,3,8H2,1-2H3
3. InChIKey: BZCGGCRVJFWCIW-UHFFFAOYAV
4. Std. InChI: InChI=1S/C11H14O4/c1-3-14-11(12)8-15-10-7-5-4-6-9(10)13-2/h4-7H,3,8H2,1-2H3
5. Std. InChIKey: BZCGGCRVJFWCIW-UHFFFAOYSA-N