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39565

Sigma-Aldrich

1,3-二甲基巴比妥酸

≥99.0% (T)

同義詞:

1,3-二甲基-2,4,6(1H,3H,5H)-嘧啶三酮

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About This Item

經驗公式(希爾表示法):
C6H8N2O3
CAS號碼:
分子量::
156.14
Beilstein:
139810
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

品質等級

化驗

≥99.0% (T)

形狀

solid

燃燒殘留物

≤0.1%

mp

121-123 °C (lit.)
123-126 °C

溶解度

hot water: soluble 0.5 g/10 mL, clear, colorless to faintly yellow

SMILES 字串

CN1C(=O)CC(=O)N(C)C1=O

InChI

1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3

InChI 密鑰

VVSASNKOFCZVES-UHFFFAOYSA-N

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一般說明

1,3-二甲基巴比妥酸(1,3-二甲基-2,4,6(1H,3H,5H)-嘧啶三酮)是活性亚甲基化合物。它经历空心 Pd6 水溶性笼,与芘-1-甲醛,[{(tmen)Pd} 6(timb)4](NO312(tmen =N,N,N′,N′-四甲基乙二胺,timb = 1,3,5-tris (1-咪唑基)苯)催化的诺文葛尔缩合反应。它经过自分选的 Pd7 分子舟实验,其与各种芳香醛,具有内部纳米腔(催化剂)辅助的诺文葛尔缩合反应。它通过 1,3-二甲基脲、丙二酸和乙酸酐在乙酸中反应合成。它广泛用于合成各种合成中间体和杂环化合物。

應用

1,3-二甲基巴比妥酸可用于以下研究:
  • 具有五个立体中心的异色烯嘧啶二酮衍生物的对映选择性合成,通过一锅式迈克尔-诺文葛尔缩合-反电子-需要杂-狄尔斯-阿尔德反应。
  • 5-芳基-6-(烷基 - 或芳基 - 氨基)-1,3-二甲基呋喃[2,3-d]嘧啶衍生物的合成。
  • 微波促进醇的间接官能化,通过使用顺序一锅式 Ir(III)/Pd(0) 催化过程的螺环化。

象形圖

CorrosionExclamation mark

訊號詞

Danger

危險聲明

危險分類

Acute Tox. 4 Oral - Eye Dam. 1

儲存類別代碼

11 - Combustible Solids

水污染物質分類(WGK)

WGK 1

閃點(°F)

Not applicable

閃點(°C)

Not applicable

個人防護裝備

dust mask type N95 (US), Eyeshields, Gloves


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文章

Knoevenagel Condensation is an organic reaction named after Emil Knoevenagel. It is a classic C-C bond formation reaction and a modification of the Aldol Condensation.

Knoevenagel Condensation is an organic reaction named after Emil Knoevenagel. It is a classic C-C bond formation reaction and a modification of the Aldol Condensation.

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