2,2-diethyl-malonicaciddiethylester
CAS NO. 77-25-8
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To begin with, let us tell you what is the basic information of 2,2-diethyl-malonicaciddiethylester CAS NO. 77-25-8 ?
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Flash Point |
94.4±0.0 °C |
Molecular Weight |
216.274 |
|
Density |
1.0±0.1 g/cm3 |
Boiling Point |
229.0±0.0 °C at 760 mmHg |
|
Molecular Formula |
C11H20O4 |
Melting Point |
228-230 °C (lit.) |
Like many stuff, it has many synonyms as follows
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EINECS 201-016-2 |
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MFCD00009132 |
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diethyl 2,2-diethylpropanedioate |
Diethyl diethylmalonate
First, the chemical is very special, some technical indexes as below
Security information:
1. DEDE is irritating and flammable, please avoid inhalation, contact with eyes and skin.
2. When using, please equip appropriate protective measures, such as wearing protective glasses and gloves.
3. Avoid contact with oxidants during storage.
4. Avoid contact with open flames and high temperatures to prevent combustion or explosion.
5. The environment in which this compound is used should be well ventilated
Molecular property data:
1. Molar refractive index: 56.52
2. Molar volume (cm3/mol): 217.1
3. Isometric volume (90.2K): 514.3
4. Surface tension (dyne/cm): 31.4
5. Polarization rate (10-24cm3): 22.40
Computational Chemistry Data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.5
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond receptors: 4
4. Number of rotatable chemical bonds: 8
5. Number of tautomers: None
6. Topological molecule polarity surface area 52.6
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 199
10. Isotope atomic number: 0
11. Determine the number of atomic structure centers: 0
12. Number of uncertain atomic structure centers: 0
13. Determine the number of chemical bond stereocenters: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and Stability
Currently unavailable
Storage method
This product should be stored at room temperature
Second, the Synthetic Route we will recommend is the most important for your reference?
First, synthesis line of 2,2-diethyl-malonicaciddiethylester CAS NO. 77-25-8 as follows
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Method:
The synthesis of diethyl malonate is usually carried out through ester exchange reaction. React diethyl malonate with ethanol to obtain diethyl malonate diethyl ester
1. Obtained by ethylation of diethyl malonate.
2. Preparation method:
Add 300mL of anhydrous ethanol to the reaction bottle, stir and add 24.85g (1.08mol) of metallic sodium in batches. After all sodium has reacted, add 80g (0.5mol) of diethyl malonate (2) dropwise for about 1 hour. Heat the water bath for 15 minutes, and there will be solid precipitation after cooling. Add 156g (1.0mol) of iodoethane dropwise, after about 1 hour, reflux for 3 hours to complete the reaction. Steam out ethanol. Dilute with water after cooling and extract with ether (75ml) × 3) . Combine ether extract, wash with water, and dry with anhydrous calcium chloride. Steam out ether, then heat up and distill, collect the fraction at 218-222 ℃, and obtain 84g of diethyl malonate ② (1) with a yield of 83%. Note: ① Solid particles may precipitate during the reaction process, and if necessary, they can be slightly heated to dissolve. ② Bromoethane can also be prepared by stepwise functionalization method
Third, what is the usage of 2,2-diethyl-malonicaciddiethylester CAS NO. 77-25-8 ? pleas see below
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1. DEDE is mainly used as a solvent and can be used in fields such as resins, paints, and coatings.
2. It can also be used as a thickener, solvent inhibitor, etc. in paint formulations.
Besides Safety Information of 2,2-diethyl-malonicaciddiethylester CAS NO. 77-25-8 is also important when handling it
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Hazard Codes |
Xi |
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WGK Germany |
3 |
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H．S．Code： |
2917190090 |
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TSCA |
Yes |
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HazardClass |
IRRITANT |
What is the appearance of 2,2-diethyl-malonicaciddiethylester CAS NO. 77-25-8 2? Please see the picture of 2,2-diethyl-malonicaciddiethylester CAS NO. 77-25-8, below
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Specification of 2,2-diethyl-malonicaciddiethylester CAS NO. 77-25-8, is below
Appearance: Colorless to light yellow liquid.
Smell: It has a special aromatic odor.
Solubility: soluble in some organic solvents, such as methanol, ethanol, and ether solvents.
Assay: 99 % min by GC
IR identity: conform
Water:0.5% max by K.F.
HNMR picture of 2,2-diethyl-malonicaciddiethylester CAS NO. 77-25-8 is as follows,
IR picture of 2,2-diethyl-malonicaciddiethylester CAS NO. 77-25-8 is as follows,
Reference of Article cited for your reference below,
(1)
Formation of Seven-Membered Rings by Ring-Closing Metathesis of Vinyl Bromides
DOI: 10.1055/a-1845-4195
Publication Date: 2022
Publication Name: Synlett
(2)
CA Index :: The Chemical Abstracts Services (CAS) Registry File is a chemical structure and dictionary database containing unique records for chemical substances that have been published. All substance records are assigned a unique CAS Registry Number and a Chemical Abstracts (CA) index name. The records may also contain additional information, such as other names, molecular formulas, and structure diagrams related to the specific substance. The CA Index name is used as the name source in CRS when an 8th or 9th CI name is not available.
(3)
Food and Drug Administration Substance Registry
FDA :: The primary goal of the FDA/USP Substance Registration System (SRS) is to unambiguously define all substances present in regulated products. Once a substance has been defined, the SRS assigns a strong identifier that is permanently associated with the substance. SRS is intended to be a general use resource and data presented here has been collected from public information sources. Inclusion of a substance in this database does not indicate that it is currently under review by the FDA or a substance in any FDA regulated product
