| Identification | |
| Name: | Propanoic acid,3,3-dimethoxy-, methyl ester |
| Synonyms: | Malonaldehydicacid, methyl ester dimethyl acetal (7CI,8CI);Propionic acid, 3,3-dimethoxy-,methyl ester (8CI);3,3-Dimethoxypropionic acid methyl ester;Methyl3,3-bis(methoxy)propanoate;Methyl 3,3-dimethoxypropanoate;Methyl3,3-dimethoxypropionate;Methyl formylacetate dimethyl acetal;Methyl b,b-dimethoxypropionate;NSC 92715; |
| CAS: | 7424-91-1 |
| EINECS: | 231-055-0 |
| Molecular Formula: | C6H12O4 |
| Molecular Weight: | 148.1571 |
| InChI: | InChI=1S/C6H12O4/c1-8-5(7)4-6(9-2)10-3/h6H,4H2,1-3H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.027 g/cm3 |
| Refractive index: | n20/D 1.41(lit.) |
| Appearance: | Clear colorless liquid |
| Specification: |
The IUPAC name of this chemical is methyl 3,3-dimethoxypropanoate. With the CAS registry number 7424-91-1, it is also named as propanoic acid, 3,3-dimethoxy-, methyl ester. The product's categories are C6 to C7; Carbonyl Compounds; Esters. It is clear colorless liquid which should be sealed in the container and stored in the cool and dry place. The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.89; (6)ACD/BCF (pH 7.4): 1.89; (7)ACD/KOC (pH 5.5): 54.89; (8)ACD/KOC (pH 7.4): 54.89; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.401; (13)Molar Refractivity: 35.07 cm3; (14)Molar Volume: 144.1 cm3; (15)Polarizability: 13.9×10-24 cm3; (16)Surface Tension: 28.2 dyne/cm; (17)Enthalpy of Vaporization: 41.51 kJ/mol; (18)Vapour Pressure: 0.971 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 148.073559; (21)MonoIsotopic Mass: 148.073559; (22)Topological Polar Surface Area: 44.8; (23)Heavy Atom Count: 10; (24)Complexity: 97.9. Preparation of Methyl 3,3-dimethoxypropionate: It can be obtained by methanol and trans-Methyl-b-benzolsulfonyl-acrylat. This reaction needs reagent sodium. The reaction time is 15 min. The yield is 100%. Uses of Methyl 3,3-dimethoxypropionate: It can react with 2,4-bis-trimethylsilanyloxy-pyrimidine to get (1'RS)-1-(1'-Methoxy-2'-methoxycarbonylethyl)uracil. This reaction needs reagent trimethylsilyl trifluoromethanesulfonate and solvent CH2Cl2 at temperature of -30 °C. The yield is 56%. When you are using this chemical, please be cautious about it as the following: People can use the following data to convert to the molecule structure. |
| Safety Data | |
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