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CAS No.: | 5018-30-4 |
---|---|
Name: | DIMETHYL METHOXYMALONATE |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C6H10O5 |
Molecular Weight: | 162.142 |
Synonyms: | Malonicacid, methoxy-, dimethyl ester (7CI,8CI);Propanedioic acid, methoxy-, dimethylester (9CI);Dimethyl 2-methoxymalonate;Dimethyl methoxymalonate;dimethyl methoxypropanedioate;propanedioic acid, 2-methoxy-, dimethyl ester;2-Methoxy-malonic acid dimethyl ester;dimethyl 2-methoxymalonate;dimethyl 2-methoxypropane-1,3-dioate; |
EINECS: | 225-697-0 |
Density: | 1.147 g/cm3 |
Melting Point: | 11-12 °C |
Boiling Point: | 215.8 °C at 760 mmHg |
Flash Point: | 107.8 °C |
Appearance: | clear colourless liquid after melting |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25-36-26 |
PSA: | 61.83000 |
LogP: | -0.65260 |
chloropentamethoxycyclopropane
dimethyl methoxymalonate
Conditions | Yield |
---|---|
With silver perchlorate In methanol | 85% |
Conditions | Yield |
---|---|
dirhodium tetraacetate In dichloromethane at 18 - 20℃; for 48h; | 70% |
With dirhodium tetraacetate In dichloromethane at 20℃; for 48h; Inert atmosphere; | 70% |
With copper(l) iodide; phosphorous acid trimethyl ester | |
copper In toluene |
dimethyl methoxymalonate
Conditions | Yield |
---|---|
With sodium methylate In methanol; dichloromethane-d2 | 60% |
methanol
dimethyl diazomalonate
A
dimethyl 2-hydroxymalonate
B
dimethyl methoxymalonate
C
methyl 2-(methoxycarbonyl)-4-oxopentanonate
D
methyl 2,2-dimethyl-5-oxo-1,3-dioxolane-4-carboxylate
Conditions | Yield |
---|---|
In acetone for 10h; Irradiation; | A 24% B 1% C 0.5% D 31% |
dimethyl diazomalonate
acetone
A
dimethyl 2-hydroxymalonate
B
dimethyl methoxymalonate
C
methyl 2-(methoxycarbonyl)-4-oxopentanonate
D
methyl 2,2-dimethyl-5-oxo-1,3-dioxolane-4-carboxylate
Conditions | Yield |
---|---|
for 10h; Product distribution; Irradiation; reaction in the presence of benzophenone; | A 24% B 1% C 0.5% D 31% |
for 10h; Irradiation; | A 24% B 1% C 0.5% D 31% |
dimethyl diazomalonate
pentan-3-one
A
dimethyl 2-hydroxymalonate
B
dimethyl methoxymalonate
C
methyl 2-(methoxycarbonyl)-5-oxoheptanoate
D
methyl 2-(methoxycarbonyl)-3-oxoheptanoate
Conditions | Yield |
---|---|
for 10h; Product distribution; Irradiation; reaction in the presence of benzophenone; | A 21% B 0.6% C 3.8% D 4.7% E 13% |
dimethyl 3-methoxy-2-oxo-1,4-butanedioate
dimethyl methoxymalonate
diazomethane
dimethyl diazomalonate
dimethyl methoxymalonate
Conditions | Yield |
---|---|
(i) (irradiation), THF, H2O, (ii) /BRN= 102415/; Multistep reaction; |
diazomethane
diethyl methoxymalonate
dimethyl methoxymalonate
Conditions | Yield |
---|---|
(i) aq. NaOH, (ii) /BRN= 102415/; Multistep reaction; |
Conditions | Yield |
---|---|
With sodium methylate In benzene |
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The Propanedioic acid,2-methoxy-, 1,3-dimethyl ester, with the CAS registry number 5018-30-4 and EINECS registry number 225-697-0, has the systematic name of dimethyl methoxypropanedioate. It is a kind of clear colourless liquid after melting, and should be stored at 0-6°C. And the molecular formula of the chemical is C6H10O5.
The characteristics of Propanedioic acid,2-methoxy-, 1,3-dimethyl ester are as followings: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.41; (6)ACD/BCF (pH 7.4): 1.41; (7)ACD/KOC (pH 5.5): 44.45; (8)ACD/KOC (pH 7.4): 44.45; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 35.09 cm3; (15)Molar Volume: 141.2 cm3; (16)Polarizability: 13.91×10-24cm3; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.147 g/cm3; (19)Flash Point: 107.8 °C; (20)Enthalpy of Vaporization: 45.22 kJ/mol; (21)Boiling Point: 215.8 °C at 760 mmHg; (22)Vapour Pressure: 0.145 mmHg at 25°C.
Uses of Propanedioic acid,2-methoxy-, 1,3-dimethyl ester: It can react with benzeneselenenyl chloride to produce 2-methoxy-2-phenylselanyl-malonic acid dimethyl ester. This reaction will need reagent NEt3, and the menstruum tetrahydrofuran. The reaction time is 2 hours with temperature of 0-20°C, and the yield is about 82%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Avoid contact with skin and eyes; Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)C(OC)C(=O)OC
(2)InChI: InChI=1/C6H10O5/c1-9-4(5(7)10-2)6(8)11-3/h4H,1-3H3
(3)InChIKey: ORXJMBXYSGGCHG-UHFFFAOYAR