-
Name
Methyl dimethoxyacetate
- EINECS 201-950-0
- CAS No. 89-91-8
- Article Data35
- CAS DataBase
- Density 1.051 g/cm3
- Solubility
- Melting Point
- Formula C5H10O4
- Boiling Point 169.033 °C at 760 mmHg
- Molecular Weight 134.132
- Flash Point 63.333 °C
- Transport Information
- Appearance Clear colourless to very slightly yellow liquid
- Safety 23-24/25
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Aceticacid, dimethoxy-, methyl ester (9CI);Glyoxylic acid, methyl ester, 2-(dimethylacetal) (8CI);Glyoxylic acid, methyl ester, dimethyl acetal (6CI,7CI);2,2-Dimethoxyacetic acid methyl ester;Dimethoxyacetic acid methyl ester;Methyl 2,2-dimethoxyacetate;Methyl glyoxylatedimethyl acetal;
- PSA 44.76000
- LogP -0.22170
Synthetic route
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid at 20℃; for 72h; Inert atmosphere; | 97% |
| With hydrogenchloride In methanol for 48h; Heating; | 85% |
| With toluene-4-sulfonic acid for 3h; | 79% |
| With sulfuric acid In methanol for 18h; Time; Reflux; | 59.8% |
| With toluene-4-sulfonic acid Inert atmosphere; |
| Conditions | Yield |
|---|---|
| With lithium iodide In diphenylether |
-
-
96-35-5
glycolic acid methyl ester
-
-
107-30-2
chloromethyl methyl ether
-
-
89-91-8
Methyl dimethoxyacetate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane |
| Conditions | Yield |
|---|---|
| With sulfuric acid In methanol for 18h; Heating; | 46% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With water; perchloric acid In tetrahydrofuran at 25℃; Rate constant; Mechanism; isotope effect; | |
| With water; cyanoacetic acid In tetrahydrofuran at 25℃; Rate constant; Mechanism; | |
| With water; ClH2COOH In tetrahydrofuran at 25℃; Rate constant; Mechanism; |
-
-
603-76-9
1-methylindole
-
-
13157-96-5
methyl 2-chloro-2-methoxyacetate
-
A
-
89-91-8
Methyl dimethoxyacetate
-
B
-
138197-76-9
methyl 2,2-bis(1-methyl-1H-indol-3-yl)acetate
-
C
-
6637-11-2
1,1'-dimethyl-2',3'-dihydro-1H,1'H-2,3'-biindolyl
| Conditions | Yield |
|---|---|
| With zinc(II) chloride In tetrahydrofuran for 2h; Ambient temperature; | A 19% B 68% C 32% |
| Conditions | Yield |
|---|---|
| sulfuric acid for 5h; Heating; | 58% |
-
-
67-56-1
methanol
-
-
298-12-4
Glyoxilic acid
-
A
-
89-91-8
Methyl dimethoxyacetate
-
B
-
39140-61-9
2-hydroxy-2-methoxyacetic acid
| Conditions | Yield |
|---|---|
| In chloroform-d1 at 20℃; | A 6 %Spectr. B 37 %Spectr. |
| Conditions | Yield |
|---|---|
| With thallium(III) nitrate |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
-
-
67-56-1
methanol
-
-
109745-70-2, 19757-97-2
methyl glyoxylate methyl hemi-acetal
-
-
89-91-8
Methyl dimethoxyacetate
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid |
| Conditions | Yield |
|---|---|
| In methanol |
Methyl dimethoxyacetate Specification
The Methyl dimethoxyacetate, with the CAS registry number 89-91-8, is also known as Acetic acid, dimethoxy-, methyl ester. Its EINECS registry number is 201-950-0. This chemical's molecular formula is C5H10O4 and molecular weight is 134.13. What's more, its IUPAC name is called Methyl 2,2-dimethoxyacetate. It should be stored in a cool, dry and sealed place.
Physical properties about Methyl dimethoxyacetate are: (1)ACD/LogP: 0.321; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1.03; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 35.63; (8)ACD/KOC (pH 7.4): 35.63; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.393; (14)Molar Refractivity: 30.437 cm3; (15)Molar Volume: 127.653 cm3; (16)Polarizability: 12.066×10-24cm3; (17)Surface Tension: 27.577 dyne/cm; (18)Density: 1.051 g/cm3; (19)Flash Point: 63.333 °C; (20)Enthalpy of Vaporization: 40.546 kJ/mol; (21)Boiling Point: 169.033 °C at 760 mmHg; (22)Vapour Pressure: 1.573 mmHg at 25 °C.
Preparation of Methyl dimethoxyacetate: this chemical can be prepared by 1-methyl-indole with chloro-methoxy-acetic acid methyl ester. This reaction needs reagent ZnCl2 and solvent tetrahydrofuran at ambient temperature. The reaction time is 2 hours. The yield is 68 %.
Uses of Methyl dimethoxyacetate: (1) it is used in organic synthesis; (2) it is used to produce other chemicals. For example, it can react with acetic acid ethyl ester to get 4,4-dimethoxy-acetoacetic acid ethyl ester. The reaction occurs with reagent Na and other condition of heating.
When you are dealing with this chemical, you should be very careful. You can not breathe the gas/fumes/vapour/spray. And you must avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)C(OC)OC
(2) InChI: InChI=1S/C5H10O4/c1-7-4(6)5(8-2)9-3/h5H,1-3H3
(3) InChIKey: NZTCVGHPDWAALP-UHFFFAOYSA-N
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