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| CAS No.: | 2033-24-1 |
|---|---|
| Name: | 2,2-Dimethyl-1,3-dioxane-4,6-dione |
| Molecular Structure: | |
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|
|
| Formula: | C6H8O4 |
| Molecular Weight: | 144.127 |
| Synonyms: | 2,2-Dimethyl-1,3-dioxan-4,6-dione;2,2-Dimethyl-4,6-dioxo-1,3-dioxane;2,2-Dimethyl-m-dioxane-4,6-dione;2,2-Propanediol cyclic malonate;Cyclic isopropylidene malonate;Isopropylidenemalonate;Meldrumic acid; |
| EINECS: | 217-992-8 |
| Density: | 1.201 g/cm3 |
| Melting Point: | 92-96 °C(lit.) |
| Boiling Point: | 356.7 °C at 760 mmHg |
| Flash Point: | 195.1 °C |
| Solubility: | 2.5 g/100 mL (20 °C) in water |
| Appearance: | white to beige crystals |
| Hazard Symbols: |
 Xi,  T
|
| Risk Codes: | 36/37/38-45 |
| Safety: | 37/39-24/25-53-45-36-26 |
| PSA: | 52.60000 |
| LogP: | 0.21260 |
2,2-dimethyl-5-(phenyl-λ3-iodaneylidene)-1,3-dioxane-4,6-dione
A
cycl-isopropylidene malonate
B
iodobenzene
C
acetone
| Conditions | Yield |
|---|---|
| With dirhodium tetraacetate In dichloromethane at 20℃; Product distribution; | A 33% B 100% C 5% |
A
cycl-isopropylidene malonate
B
1,1-bis(4-t-butylphenyl)methane
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 24h; | A n/a B 99% |
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 24h; | A n/a B 98% |
5-(bis(4-methoxyphenyl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
A
cycl-isopropylidene malonate
B
4,4'-dianisylmethane
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 24h; | A n/a B 96% |
A
cycl-isopropylidene malonate
B
1-benzyl-4-tert-butylbenzene
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 24h; | A n/a B 96% |
A
cycl-isopropylidene malonate
B
m-benzylanisole
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 24h; | A n/a B 95% |
6,6-dimethyl-4,8-dioxo-5,7-dioxa-1,2-diazaspiro<2.5>oct-1-ene
cycl-isopropylidene malonate
| Conditions | Yield |
|---|---|
| With benzophenone In methanol Irradiation; | 93% |
A
cycl-isopropylidene malonate
B
bis(3-methoxyphenyl)methane
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 24h; | A n/a B 93% |
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In ethyl acetate at 65℃; under 760.051 Torr; for 96h; Sealed tube; | A n/a B 91% |
2,2-dimethyl-5-(2-(4-(octyloxy)phenyl)hexan-2-yl)-1,3-dioxane-4,6-dione
A
cycl-isopropylidene malonate
B
1-(hexan-2-yl)-4-(octyloxy)benzene
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 24h; | A n/a B 90% |
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Reported in EPA TSCA Inventory.
ASSAY: 98.0% min
LOSS ON DRYING: 0.5% max
Meldrum's acid , its cas register number is 2033-24-1. It also can be called 2,2-Dimethyl-1,3-dioxane-4,6-dione; 2,2-Dimethyl-4,6-dioxo-m-dioxane; 2,2-Dimethyl-m-dioxane-4,6-dione; Isopropylidene malonate; m-Dioxane-4,6-dione, 2,2-dimethyl-; 1,3-Dioxane-4,6-dione, 2,2-dimethyl- ; Malonic acid, cyclic isopropylidene ester (8CI). It is a brown white solid. Meldrum's acid is an intermediate for different organic syntheses. It is an important intermediate in syntheses of vitamins B1 and B6, barbiturate, non-steroidal anti-inflammatory agent, other numerous pharmaceutical, agrochemical and flavor & fragrance compound. As an alternative to its original preparation, Meldrum's acid can be synthesized from malonic acid, isopropenyl acetate, and catalytic sulfuric acid.
Physical properties about Meldrum's acid are: (1)ACD/LogP: -1.579; (2)ACD/LogD (pH 5.5): -1.58; (3)ACD/LogD (pH 7.4): -1.58; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 3.30; (7)ACD/KOC (pH 7.4): 3.30; (8)#H bond acceptors: 4; (9)Index of Refraction: 1.434; (10)Molar Refractivity: 31.24 cm3; (11)Molar Volume: 119.95 cm3; (12)Polarizability: 12.384 10-24cm3; (13)Surface Tension: 33.2239990234375 dyne/cm; (14)Density: 1.202 g/cm3; (15)Flash Point: 195.118 °C; (16)Enthalpy of Vaporization: 60.204 kJ/mol; (17)Boiling Point: 356.749 °C at 760 mmHg
When you are using Meldrum's acid, please be cautious about it as the following:
1. Wear suitable gloves and eye/face protection;
2. Avoid contact with skin and eyes;
3. Avoid exposure - obtain special instruction before use;
4. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
5. Wear suitable protective clothing;
6. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H8O4/c1-6(2)9-4(7)3-5(8)10-6/h3H2,1-2H3;
(2)InChIKey=GXHFUVWIGNLZSC-UHFFFAOYSA-N;
(3)SmilesC1(OC(CC(O1)=O)=O)(C)C;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04102, |
