ChemicalBook--->CAS DataBase List--->1068-90-2

1068-90-2

1068-90-2 Structure

1068-90-2 Structure
IdentificationMore
[Name]

Diethyl acetamidomalonate
[CAS]

1068-90-2
[Synonyms]

2-ACETYLAMINO-MALONIC ACID DIETHYL ESTER
AA-DEM
ACETAMIDO DIETHYL MALONATE
ACETAMIDOMALONIC ACID DIETHYL ESTER
ACETYLAMINO-MALONIC ACID DIETHYL ESTER
AC-NH-MAL(OET)2
AC-NH-MAL(OET)-OET
AURORA KA-3269
DIETHYL ACETAMIDOMALONATE
DIETHYL ACETAMINOMALONATE
DIETHYL ACETYLAMINOMALONATE
ETHYL ACETAMIDOMALONATE
ETHYL ACETAMINOMALONATE
LABOTEST-BB LT00848193
PROPANEDIOIC ACID, (ACETYLAMINO)-, DIETHYL ESTER
(Acetylamino)propanedioic acid diethyl ester
(acetylamino)-propanedioicacidiethylester
2-(Acetylamino)propanedioic acid diethyl ester
acetamido-malonicacidiethylester
Acetaminomalonic acid diethyl ester
[EINECS(EC#)]

213-952-9
[Molecular Formula]

C9H15NO5
[MDL Number]

MFCD00009146
[Molecular Weight]

217.22
[MOL File]

1068-90-2.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystalline powder
[Melting point ]

95-98 °C (lit.)
[Boiling point ]

185 °C/20 mmHg (lit.)
[density ]

1.2850 (rough estimate)
[refractive index ]

1.4640 (estimate)
[Fp ]

185°C/20mm
[storage temp. ]

Store at RT.
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Crystalline Powder
[pka]

11.93±0.59(Predicted)
[color ]

White to light yellow
[Water Solubility ]

Soluble in chloroform and methanol. Slightly soluble in water.
[BRN ]

783883
[InChIKey]

ISOLMABRZPQKOV-UHFFFAOYSA-N
[CAS DataBase Reference]

1068-90-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Propanedioic acid, (acetylamino)-, diethyl ester(1068-90-2)
[EPA Substance Registry System]

1068-90-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36:Irritating to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29241900
[Hazardous Substances Data]

1068-90-2(Hazardous Substances Data)
[Toxicity]

eye-rbt 500 mg/24H MLD 28ZPAK -,130,72
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Propanedioic acid, 2-amino-, 1-ethyl ester-->Diethyl aminomalonate hydrochloride-->Diethyl nitromalonate-->Diethyl Isonitrosomalonate-->Diethyl malonate-->2-AMINODIETHYLMALONATE
[Preparation Products]

Diethyl(acetylamino)((2-((bis(2-hydroxyethyl)amino)methyl)-5-nitrophenyl)methyl)propanedioate-->Rebamipide-->DIETHYL 2-(ACETAMIDO)-2-(2-(BROMOMETHYL)-5-NITROBENZYL)MALONATE-->Diethyl(acetylamino)((2-((bis(2-chloroethyl)amino)methyl)-5-nitrophenyl)methyl)propanedioate-->DIETHYL 2-(ACETAMINDO)-2-(2-METHYL-5-NITROBENZYL)MALONATE-->1,4-Dioxane-->Glycine hydrochloride-->diethyl 2-acetamido-2-phenethyl-propanedioate-->N-[1,1-Bis[(acetyloxy)methyl]-3-(4-octylphenyl)propyl]acetamide-->2-Aminohexadecanoic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Acetamidomalonic acid diethyl ester(1068-90-2).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystalline powder
[Uses]

Diethyl 2-Acetamidomalonate, is a versatile building block used for the synthesis of various pharmaceutical and biologically active compounds. It is an intermediate for the preparation of Novobiocin analogues as potential heat shock protein 90 inhibitors. It is also used as a important intermediates in syntheses of vitamins B1 and B6, barbiturates, non-steroidal anti-inflammatory agents, other numerous pharmaceuticals.
[Safety Profile]

An eye irritant. When heated todecomposition it emits toxic fumes of NOx.
[Purification Methods]

Crystallise the ester from *benzene/pet ether. [Beilstein 4 III 2993.]
Spectrum DetailBack Directory
[Spectrum Detail]

Diethyl acetamidomalonate(1068-90-2)MS
Diethyl acetamidomalonate(1068-90-2)1HNMR
Diethyl acetamidomalonate(1068-90-2)13CNMR
Diethyl acetamidomalonate(1068-90-2)IR1
Diethyl acetamidomalonate(1068-90-2)IR2
Diethyl acetamidomalonate(1068-90-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Diethyl acetamidomalonate, 99+%(1068-90-2)
[Alfa Aesar]

Diethyl acetamidomalonate, 98+%(1068-90-2)
[Sigma Aldrich]

1068-90-2(sigmaaldrich)
[TCI AMERICA]

Diethyl Acetamidomalonate,>98.0%(GC)(1068-90-2)
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