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| CAS No.: | 1068-90-2 |
|---|---|
| Name: | Diethyl acetamidomalonate |
| Article Data: | 33 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C9H15NO5 |
| Molecular Weight: | 217.222 |
| Synonyms: | Diethyl acetamido malonate;Malonicacid, acetamido-, diethyl ester (6CI,7CI,8CI);Propanedioic acid,(acetylamino)-, diethyl ester (9CI);(Acetylamino)malonic acid diethyl ester;(Acetylamino)propanedioic acid diethyl ester;2-(Acetylamino)propanedioic aciddiethyl ester;2-Acetylamino-malonic acid diethyl ester;Acetamidomalonic aciddiethyl ester;Diethyl (N-acetylamino)malonate;Diethyl (acetylamino)malonate;Diethyl 2-acetamidomalonate;Diethyl 2-acetylaminomalonate;Diethylacetamidomalonate;Diethyl a-(acetylamino)malonate;NSC 7645;Acetamidomalonic acid diethyl ester; |
| EINECS: | 213-952-9 |
| Density: | 1.141 g/cm3 |
| Melting Point: | 93 - 96 ºC |
| Boiling Point: | 311.4 ºC at 760 mmHg |
| Flash Point: | 145.2ºC |
| Solubility: | Soluble in chloroform and methanol. Slightly soluble in water. |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 39-36-26 |
| PSA: | 81.70000 |
| LogP: | 0.00820 |
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diethyl aminomalonate hydrochloride
- 108-24-7
acetic anhydride
- 1068-90-2
2-acetylaminomalonic acid diethyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 20℃; | 100% |
| With triethylamine In dichloromethane at 0 - 20℃; | 99% |
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 20℃; | 100% |
- 13433-00-6
diethyl aminomalonate hydrochloride
- 75-36-5
acetyl chloride
- 1068-90-2
2-acetylaminomalonic acid diethyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 20℃; | 96% |
| With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 96% |
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 20℃; | 96% |
| Conditions | Yield |
|---|---|
| With 2,2′-biquinoline-4,4'-dicarboxylic acid disodium salt; acetic acid; copper(l) chloride at 80 - 110℃; for 8h; | 93% |
| Conditions | Yield |
|---|---|
| With zinc In water | 90% |
| Multi-step reaction with 2 steps 1: H2 / 10percent Pd/C / ethanol / 20520 Torr 2: ethanol View Scheme | |
| Multi-step reaction with 2 steps 1: palladium coal; ethanol / 2280 - 3040 Torr / Hydrogenation 2: ethanol View Scheme |
| Conditions | Yield |
|---|---|
| With sodium nitrite Addition; Isonitrosoylation; N-acetylation; | 87% |
- 6829-40-9
aminomalonic acid diethyl ester
- 78-39-7
Triethyl orthoacetate
- 1068-90-2
2-acetylaminomalonic acid diethyl ester
| Conditions | Yield |
|---|---|
| for 2h; Reflux; | 87% |
| Conditions | Yield |
|---|---|
| With acetic acid; sodium nitrite In water | A n/a B 86% |
| Conditions | Yield |
|---|---|
| With chloroform; tris-(2-chloro-ethyl)-amine; sulfuric acid |
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Chemistry
IUPAC Name: Diethyl 2-acetamidopropanedioate
Synonyms of Acetamidomalonic acid diethyl ester (1068-90-2): Diethyl acetamidomalonic acid ; (Acetylamino)propanedioic acid diethyl ester ; 4-04-00-02993 (Beilstein Handbook Reference) ; AI3-52334 ; Acetamidomalonic acid diethyl ester ; BRN 0783883 ; Diethyl 2-acetamidomalonate ; Diethyl acetamidomalonate ; Diethyl acetaminomalonate ; Diethyl acetylaminomalonate ; Diethylester kyseliny acetylaminomalonove ; Diethylester kyseliny acetylaminomalonove [Czech] ; EINECS 213-952-9 ; Ethyl acetamidomalonate ; HSDB 2664 ; Malonic acid, acetamido-, diethyl ester ; NSC 7645 ; Propanedioic acid, (acetylamino)-, diethyl ester ; Propanedioic acid, 2-(acetylamino)-, 1,3-diethyl ester
CAS NO: 1068-90-2
Classification Code: Skin / Eye Irritant
Molecular Formula: C9H15NO5
Molecular Weight: 217.2191
Molecular Structure:
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Melting Point: 95-98 °C
ProductCategories: Pharmaceutical Intermediates ; Other Reagents ; Amino ester
Polar Surface Area: 72.91Å2
Index of Refraction: 1.447
Molar Refractivity: 50.87 cm3
Molar Volume: 190.3 cm3
Surface Tension: 37.1 dyne/cm
Density: 1.141 g/cm3
Flash Point: 145.2 °C
Enthalpy of Vaporization: 55.23 kJ/mol
Boiling Point: 311.4 °C at 760 mmHg
Vapour Pressure: 0.000565 mmHg at 25°C
Uses
Acetamidomalonic acid diethyl ester (1068-90-2) can be used in the pharmaceutical industry, also used as a tryptophan intermediate.
Production
Acetamidomalonic acid diethyl ester (1068-90-2) can be produced from diethyl malonate by nitrosation, reduction, acetylation derived.
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
An eye irritant. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.
Hazard Codes of Acetamidomalonic acid diethyl ester
(1068-90-2): 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 39-36-26
S39: Wear eye / face protection.
S36: Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany; 3
RTECS: OO0360000
HS Code: 29241900
Specification
Stability and Reactivity of Acetamidomalonic acid diethyl ester (1068-90-2).
Chemical Stability: Stable under normal temperatures and pressures.
Conditions to Avoid: Incompatible materials.
Incompatibilities with Other Materials Strong oxidizing agents, strong oxidizing agents, reducing agents, acids, bases.
Hazardous Decomposition Products Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization Has not been reported.
Handling and Storage of Acetamidomalonic acid diethyl ester (1068-90-2).
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.