8.09622

Ethyl acetoacetate

for synthesis

• 同義詞: Ethyl acetoacetate, EAA, Acetoacetic acid ethyl ester
• 經驗公式（希爾表示法）: C₆H₁₀O₃
• CAS號碼: 141-97-9
• 分子量：: 130.14
• MDL號碼: MFCD00009199
• 分類程式碼代碼: 12352108
• 酶委員會索引編號: 205-516-1
• NACRES: NA.22

屬性

• 蒸汽壓力: 0.26 hPa ( 20 °C)
• 品質等級: 200
• 化驗: ≥98.0% (GC)
• 形狀: liquid
• 自燃溫度: 350 °C
• 效力: 3980 mg/kg LD₅₀, oral (Rat); >5000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.0-54 % (v/v)
• pH值: 4.0 (20 °C, 110 g/L in H₂O)
• mp: -53.3 °C
• 轉變溫度: flash point 73.5 °C
• 溶解度: 130.3 g/L
• 密度: 1.03 g/cm³ at 20 °C
• 儲存溫度: 2-30°C
• InChI: 1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
• InChI 密鑰: XYIBRDXRRQCHLP-UHFFFAOYSA-N

描述

應用

Ethyl acetoacetate can be used as a reactant to synthesize:

• 7-hydroxycoumarin derivatives via Pechmann condensation reaction with 1,3-dihydroxybenzene in the presence of acid catalysts.
• 2,6-disubstituted piperidine alkaloid, (−)-pinidinone via stereoselective α-aminoallylation followed by Grubbs′ olefin cross-metathesis reaction.
• Michael addition products via Michael addition reaction with chalcones and azachalcones in the presence of a base catalyst.
• α, β-unsaturated carbonyl compounds via Knoevenagel condensation reaction with glyceraldehyde acetonide in the presence of a base catalyst.

It can be also utilized as a reactant in the transesterification and asymmetric hydrogenation reactions to produce valuable products.

分析報告

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.028 - 1.030
Identity (IR): passes test

安全資訊

• 儲存類別代碼: 10 - Combustible liquids
• 水污染物質分類（WGK）: WGK 1
• 閃點（°F）: 164.3 °F - closed cup
• 閃點（°C）: 73.5 °C - closed cup