CAS No.1068-90-2,Diethyl acetamidomalonate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1068-90-2
Name:	Diethyl acetamidomalonate
Article Data:	33

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

Synthetic route

: 13433-00-6
diethyl aminomalonate hydrochloride

: 108-24-7
acetic anhydride

: 1068-90-2
2-acetylaminomalonic acid diethyl ester

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃;	100%
With triethylamine In dichloromethane at 0 - 20℃;	99%

: diethyl 2-aminopropanedioate hydrochloride

: 108-24-7
acetic anhydride

: 1068-90-2
2-acetylaminomalonic acid diethyl ester

Conditions

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

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃;	96%
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;	96%

: diethyl 2-aminopropanedioate hydrochloride

: 75-36-5
acetyl chloride

: 1068-90-2
2-acetylaminomalonic acid diethyl ester

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃;	96%

: 60-35-5
acetamide

: 105-53-3
diethyl malonate

: 1068-90-2
2-acetylaminomalonic acid diethyl ester

Conditions

Conditions	Yield
With 2,2′-biquinoline-4,4'-dicarboxylic acid disodium salt; acetic acid; copper(l) chloride at 80 - 110℃; for 8h;	93%

: 6829-41-0
diethyl oximinomalonate

: 1068-90-2
2-acetylaminomalonic acid diethyl ester

Conditions

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

: 64-19-7
acetic acid

: 105-53-3
diethyl malonate

: 1068-90-2
2-acetylaminomalonic acid diethyl ester

Conditions

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

Conditions	Yield
for 2h; Reflux;	87%

: 105-53-3
diethyl malonate

A: 123-91-1
1,4-dioxane

B: 1068-90-2
2-acetylaminomalonic acid diethyl ester

Conditions

Conditions	Yield
With acetic acid; sodium nitrite In water	A n/a B 86%

: 570-08-1
diethyl acetylmalonate

: 1068-90-2
2-acetylaminomalonic acid diethyl ester

Conditions

Conditions	Yield
With chloroform; tris-(2-chloro-ethyl)-amine; sulfuric acid

Raw Materials

570-08-1

108-24-7

30412-43-2

6829-40-9

64-19-7

91469-69-1

67-56-1

105-53-3

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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:

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 NO_x. See also ESTERS.
Hazard Codes of Acetamidomalonic acid diethyl ester

(1068-90-2): Irritant 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.