Diethyl acetamidomalonate

What is Diethyl acetamidomalonate, cas no. 1068-90-2,a producer telling you the result.

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

MFCD00009146

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

DIETHYL (ACETYLAMINO)MALONATE

Polyacrylic resin

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

HSCode

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)

Synthesis of polyfunctionalized alkenes and α,β-unsaturated γ-lactams from the reaction of alkyl propiolates and CH-acids such as diethyl acetamidomalonate and ethyl acetamidocyanoacetate in the presence of triphenylphosphine

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