Diethyl acetylmalonate

Base Information

• Chemical Name: Diethyl acetylmalonate
• CAS No.: 570-08-1
• Molecular Formula: C9H14O5
• Molecular Weight: 202.207
• Hs Code.: 29171900
• Mol file: 570-08-1.mol

Synonyms:Malonicacid, acetyl-, diethyl ester (6CI,7CI,8CI);Propanedioic acid, acetyl-, diethylester (9CI);C-Acetylmalonic ester;Diethyl 2-acetylmalonate;Diethylacetylmalonate;Ethyl acetomalonate;NSC 227297;NSC 4617;

Chemical Property of Diethyl acetylmalonate

Chemical Property:

• Vapor Pressure: 1.45E-06mmHg at 25°C
• Refractive Index: 1.4435 (estimate)
• Boiling Point: 232 °C at 760 mmHg
• PKA: 8.08±0.46(Predicted)
• Flash Point: 99 °C
• PSA: 69.67000
• Density: 1.113 g/cm³
• LogP: 0.31780
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Methanol
• Water Solubility.: Not miscible in water.

Purity/Quality:

99%, ^*data from raw suppliers

Diethyl2-Acetylmalonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/38:Irritating to eyes and skin.
• Hazard Codes: R36/38:Irritating to eyes and skin.
• Statements: 36/38
• Safety Statements: 26-36-37

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Diethyl acetylmalonate is used as pharmaceutical intermediates.

Technology Process of Diethyl acetylmalonate

There total 28 articles about Diethyl acetylmalonate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

acetyl chloride (75-36-5) + diethyl malonate (105-53-3) → diethyl acetylmalonate (570-08-1)

Guidance literature:

With triethylamine; magnesium chloride; In acetonitrile; at 0 ℃;

DOI:10.1016/j.bmcl.2011.01.119

Reference yield: 13.0%

acetyl chloride (75-36-5) + diethyl malonate (105-53-3) → diethyl acetylmalonate (570-08-1) + ethyl acetoacetate (141-97-9)

Guidance literature:

With triethylamine; magnesium chloride; In acetonitrile; at 20 ℃; for 24h; MgO, toluene, 80 deg C, 2 h;

DOI:10.1016/S0040-4020(01)89094-3

Reference yield:

diethyl 2-(1-ethoxyethylidene)malonate (3044-06-2) → diethyl acetylmalonate (570-08-1)

Guidance literature:

With hydrogenchloride; Auf dem Dampfbad;

upstream raw materials:

diethyl 2-(1-ethoxyethylidene)malonate

chloroformic acid ethyl ester

sodium ethyl acetylacetate enolate

diethyl ether

Downstream raw materials:

(1-acetoxy-ethylidene)-malonic acid diethyl ester

2-[(bis-ethoxycarbonyl-methylene)-hydrazino]-benzoic acid

2-(1,3-bis-ethoxycarbonyl-2-oxo-propylidenehydrazino)-benzoic acid

2-ethoxycarbonylmethyl-2-hydroxy-4-oxo-6-phenyl-cyclohexane-1,3,5-tricarboxylic acid triethyl ester

Refernces

• 1、 Annen, Thomas,Epple, Matthias. "A facile synthesis of dispersable NaCl nanocrystals". . p. 9731 - 9734. Retrieved 2009.
• 2、 Choung, Wonken,Jung, Hui Jin,Nam, Eun Hye,Yang, Deokmo,Yoo, Byoungwook,Choi, Hyukjoon,Lee, Bo Ram,Park, Min,Jang, Su Min,Lim, Jae Soo,Kim, Kyung-Hee,Chin, Jungwook,Jung, Kyungjin,Lee, Geumwoo,Kim, Seong Heon. "Discovery of the bifunctional modulator of angiotensin II type 1 receptor (AT1R) and PPARγ derived from the AT1R antagonist, Fimasartan". . p. 3155 - 3160. Retrieved 2018/09/11.
• 3、 Suzuki, Naoyuki,Shiota, Takeshi,Watanabe, Fumihiko,Haga, Norihiro,Murashi, Takami,Ohara, Takafumi,Matsuo, Kenji,Oomori, Naoki,Yari, Hiroshi,Dohi, Keiji,Inoue, Makiko,Iguchi, Motofumi,Sentou, Jyunko,Wada, Tooru. "Synthesis and evaluation of novel pyrimidine-based dual EGFR/Her-2 inhibitors". scheme or table. p. 1601 - 1606. Retrieved 2011/05/11.