Diethyl acetamidomalonate
CAS NO. 1068-90-2
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To begin with, let us tell you what is the basic information of Diethyl acetamidomalonate CAS NO. 1068-90-2 ?
Flash Point |
145.2±22.3 °C |
Molecular Weight |
217.22 |
Density |
1.1±0.1 g/cm3 |
Boiling Point |
311.4±0.0 °C at 760 mmHg |
Molecular Formula |
C9H15NO5 |
Melting Point |
95-98 °C(lit.) |
Like many stuff, it has many synonyms as follows
EINECS 213-952-9 |
Diethyl2-acetamidomalonate |
DIETHYLACETAMIDO MALONATE |
2-ACETYLAMINO-MALONIC ACID DIETHYL ESTER AA-DEM ACETAMIDO DIETHYL MALONATE ACETAMIDOMALONIC ACID DIETHYL ESTER |
DIETHYL ACETAMIDO MALONATE |
Diethyl 2-acetamidomalonate |
Polyacrylic resin Ⅲ |
Acetaminomalonic acid diethyl ester |
Propanedioic acid, 2-[[(1E)-1-hydroxyethylidene]amino]-, diethyl ester |
DIETHYL ACETAMIDOMALONATE FOR SYNTHESIS |
ALPHA-ACETAMIO MALONIC ACID DIETHYL ESTER |
ACETAMINOPROPANDIOIC ACID DIETHYL ESTER |
2-ACETYLAMINOMALONIC ACID DIETHYL ESTER |
(1E)-N-(1,3-Diethoxy-1,3-dioxo-2-propanyl)ethanimidic acid |
2-ACETYLAMINO-MALONIC ACID DIETHYL ESTER |
(S)-3-(1-amino-2,2,2-trifluoroethyl)aniline hydrochloride |
2-((4-CHLOROPHENYL)SULFONYL)-3-((4-(TRIFLUOROMETHYL)(2-PYRIDYL)) |
Propanedioic acid, 2-(acetylamino)-, diethyl ester |
Diethyl-(acetylamino)propandioat |
Ethyl Acetamidomalonate |
Diethylacetamidomalonate |
DIETHYL ACETAMINOMALONATE |
Acetamidomalonic Acid Diethyl Ester |
diethyl 2-acetamidopropanedioate |
diethyl 2-(acetylamino)malonate |
PROPANEDIOICACID,(ACETYLAMINO)-,DIETHYLESTER |
ACETAMIDO DIETHYL MALONATE |
Diethyl acetamidomalonate |
DIETHYL ACEAMIDOMALONATE
First, the chemical is very special, some technical indexes as below
Ecological data
It is slightly harmful to water. Do not let undiluted or large amounts of products come into contact with groundwater, waterways, or sewage systems. Without government permission, do not discharge materials into the surrounding environment
Molecular structure data
1. Molar refractive index: 50.87
2. Molar volume (m3/mol): 190.3
3. Isometric volume (90.2K): 470.0
4. Surface tension (dyne/cm): 37.1
5. Dielectric constant: unavailable
6. Dipole distance (10-24cm3): No available
7. Polarization rate: 20.16
Computational Chemistry Data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.3
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond receptors: 5
4. Number of rotatable chemical bonds: 7
5. Number of variants: 2
6. Topological molecular polarity surface area (TPSA): 81.7
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 233
10. Isotope atomic number: 0
11. Determine the number of atomic structure centers: 0
12. Uncertain number of 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
Stable at room temperature and pressure, avoiding contact with oxides, alkalis, and acids
Storage method
Keep the container sealed and store in a cool, dry place
Second, the Synthetic Route we will recommend is the most important for your reference?
First, synthesis line of Diethyl acetamidomalonate CAS NO. 1068-90-2 as follows
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Third, what is the usage of Diethyl acetamidomalonate CAS NO. 1068-90-2 ? pleas see below
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A.Used for the intermediates for organic synthesis and pharmaceutical industry.
B.Used for α- The synthesis of amino acids, such as serving as intermediates for tryptophan and analgesic mustard. Alkylation reaction is one of the key reactions for synthesizing amino acids. When the product is mixed with equimolar benzyl chloride, tetrabutylammonium bromide, sodium iodide, and powdered potassium carbonate are added, stirred at 100 ℃ for 5 hours, cooled, filtered, washed with water, and dried to obtain diethyl benzylacetaminomalonate with a yield of 92%.
Other usages as below
Can be used for the synthsis of the chemical, α-Acetamino-α-carboxy-(3-indole)-butyric Acid, Cas No.:. 408537-42-8
Can be used for the synthsis of the chemical , 2-acetamido-3-(4-cyanophenyl)propanoic acid Cas No.: 146664-08-6
Can be used for the synthsis of the chemical, (2S)-2-amino-4-methylpentanedioic acid Cas No.:. 14561-55-8
Besides Safety Information of Diethyl acetamidomalonate CAS NO. 1068-90-2 is also important when handling it
Hazard Codes |
Xi |
WGK Germany |
3 |
H.S.Code: |
2924199090 |
TSCA |
Yes |
HazardClass |
IRRITANT |
What is the appearance of Diethyl acetamidomalonate CAS NO. 1068-90-2? Please see the picture of Diethyl acetamidomalonate CAS NO. 1068-90-2, below
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Specification of Diethyl acetamidomalonate CAS NO. 1068-90-2, is below
Apperance: white crystal powder
Assay: 99 % min by HPLC
IR identity: conform
Water:0.5% max by K.F.
HNMR picture of Diethyl acetamidomalonate CAS NO. 1068-90-2 is as follows,
IR picture of Diethyl acetamidomalonate CAS NO. 1068-90-2 is as follows,
Raman spectra of Diethyl acetamidomalonate CAS NO. 1068-90-2 is as follows,
Reference of Article cited for your reference below,
(1)
Design and synthesis of amino acid derivatives containing hydantoin and thiazolidine moieties
Publication Name: Journal of Chemical Sciences
Publication Date: 2022-04-22
DOI: 10.1007/s12039-022-02053-1
(2)
Publication Date: 2008
Publication Name: Monatshefte für Chemie - Chemical Monthly
(3)
A new approach to 3-substituted tetrahydro-β-carboline derivative via diethyl acetamidomalonate
PMID: 21061028
Publication Date: 2010
Publication Name: Amino Acids