Diethyl acetamidomalonate
- Product Name
- Diethyl acetamidomalonate
- CAS No.
- 1068-90-2
- Chemical Name
- Diethyl acetamidomalonate
- Synonyms
- Diethyl 2-acetamidomalonate;ETHYL ACETAMIDOMALONATE;DIETHYL ACETAMINOMALONATE;ACETAMIDO DIETHYL MALONATE;diethyl 2-acetamidopropanedioate;ACETAMIDOMALONIC ACID DIETHYL ESTER;2-ACETYLAMINO-MALONIC ACID DIETHYL ESTER;2-(Acetylamino)propanedioic acid diethyl ester;AA-DEM;NSC 7645
- CBNumber
- CB3491359
- Molecular Formula
- C9H15NO5
- Formula Weight
- 217.22
- MOL File
- 1068-90-2.mol
Diethyl acetamidomalonate Property
- Melting point:
- 95-98 °C (lit.)
- Boiling point:
- 185 °C/20 mmHg (lit.)
- Density
- 1.2850 (rough estimate)
- refractive index
- 1.4640 (estimate)
- Flash point:
- 185°C/20mm
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 11.93±0.59(Predicted)
- form
- Crystalline Powder
- 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
- Propanedioic acid, 2-(acetylamino)-, 1,3-diethyl ester (1068-90-2)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 36-36/37/38
- Safety Statements
- 39-36-26-44
- 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
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H290May be corrosive to metals
H314Causes severe skin burns and eye damage
- Precautionary statements
-
P234Keep only in original container.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P363Wash contaminated clothing before reuse.
P390Absorb spillage to prevent material damage.
P405Store locked up.
P406Store in corrosive resistant/… container with a resistant inner liner.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- D84601
- Product name
- Diethyl acetamidomalonate
- Purity
- 98%
- Packaging
- 25g
- Price
- $42.9
- Updated
- 2025/07/31
- Product number
- D84601
- Product name
- Diethyl acetamidomalonate
- Purity
- 98%
- Packaging
- 100g
- Price
- $65.4
- Updated
- 2025/07/31
- Product number
- A0015
- Product name
- Diethyl Acetamidomalonate
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $22
- Updated
- 2025/07/31
- Product number
- A0015
- Product name
- Diethyl Acetamidomalonate
- Purity
- >98.0%(GC)
- Packaging
- 100g
- Price
- $42
- Updated
- 2025/07/31
- Product number
- D84601
- Product name
- Diethyl acetamidomalonate
- Purity
- 98%
- Packaging
- 500g
- Price
- $129.5
- Updated
- 2025/07/31
Diethyl acetamidomalonate Chemical Properties,Usage,Production
Chemical Properties
white to light yellow crystalline powder
Uses
Diethyl 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.
Chemical Reactivity
Diethyl acetamidomalonate is flammable; upon heating it decomposes releasing toxic nitrogen oxide fumes.
Safety Profile
An eye irritant. When heated todecomposition it emits toxic fumes of NOx.
Synthesis
13433-00-6
75-36-5
1068-90-2
Diethyl 2-aminomalonate hydrochloride (1.69 g, 8.0 mmol) and triethylamine (3.4 mL, 24 mmol, 3.0 eq.) were dissolved in dichloromethane (120 mL) at 0 °C. Acetyl chloride (0.57 mL, 8.0 mmol, 1.0 eq.) was added slowly and dropwise with stirring and the reaction mixture was gradually warmed to room temperature and stirred overnight. After completion of the reaction, the mixture was diluted with dichloromethane (100 mL) and washed sequentially with 1 M hydrochloric acid (3 x 60 mL). The aqueous phase was then back-extracted with dichloromethane (2 x 60 mL), the organic layers were combined and dried over anhydrous magnesium sulfate. The solvent was removed by concentration under reduced pressure to give a pure white solid product. Yield: 1.68 g (96% yield). The product was characterized as follows: melting point 96 °C (literature value 97 °C); 1H NMR (300 MHz, CDCl3) δ [ppm]: 1.30 (t, J=7.1Hz, 6H, 7-CH3,9-CH3), 2.08 (s, 3H, 5-CH3), 4.27 (m, 4H, 6-CH2,8-CH2), 5.18 (d, J=7.1Hz, 1H), 5.18 (d, J=7.1Hz, 1H). 7.1 Hz, 1H, 2-CH), 6.67 (d, J=5.7 Hz, 1H, 2-NH); 13C NMR (75 MHz, CDCl3) δ [ppm]: 14.0 (q, C-7, C-9), 22.8 (q, C-5), 56.5 (d, C-2), 62.6 (t, C-6, C-8), 166.5 (s, C -1, C-3), 169.9 (s, C-4); high-resolution mass spectrometry (ESI+): 240.0842 calculated value for C9H15N5O+Na+, 240.0824 measured value.
Purification Methods
Crystallise the ester from *benzene/pet ether. [Beilstein 4 III 2993.]
References
[1] Patent: WO2013/26765, 2013, A1. Location in patent: Page/Page column 15-16
[2] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 5, p. 1011 - 1026
Diethyl acetamidomalonate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Diethyl acetamidomalonate manufacturers
- Product
- Diethyl acetamidomalonate 1068-90-2
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 100tons
- Release date
- 2025-11-20
- Product
- Diethyl acetamidomalonate 1068-90-2
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1MT
- Release date
- 2025-09-12
- Product
- Diethyl acetamidomalonate 1068-90-2
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 1000kg
- Release date
- 2025-08-02