39565
1,3-二甲基巴比妥酸
≥99.0% (T)
别名:
1,3-二甲基-2,4,6(1H,3H,5H)-嘧啶三酮
质量水平
方案
≥99.0% (T)
表单
solid
灼烧残渣
≤0.1%
mp
121-123 °C (lit.)
123-126 °C
溶解性
hot water: soluble 0.5 g/10 mL, clear, colorless to faintly yellow
SMILES字符串
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 key
VVSASNKOFCZVES-UHFFFAOYSA-N
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一般描述
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]（NO3）12（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。
应用
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。
警示用语：
Danger
危险声明
危险分类
Acute Tox. 4 Oral - Eye Dam. 1
储存分类代码
11 - Combustible Solids
WGK
WGK 1
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
dust mask type N95 (US), Eyeshields, Gloves
María Victoria Roux et al.
The journal of physical chemistry. A, 115(14), 3167-3173 (2011-03-25)
This paper reports an experimental and computational thermochemical study on 1,3-dimethylbarbituric acid. The value of the standard (p° = 0.1 MPa) molar enthalpy of formation in the gas phase at T = 298.15 K has been determined. The energy of
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Malek Taher Maghsoodlou et al.
Molecular diversity, 15(1), 227-231 (2010-07-14)
5-Aryl-6-(alkyl- or aryl-amino)-1,3-dimethylfuro [2,3-d]pyrimidine derivatives were obtained by in situ reaction alkyl or aryl isocyanides and pyridinecarbaldehyde derivatives in the presence of 1,3-dimethylbarbituric acid in dichloromethane without any prior activation or modifications.
1, 3-Dimethylbarbituric Acid
Argintaru OA.
e-EROS Encyclopedia of Reagents for Organic Synthesis. (2011)
Shahram Lotfi et al.
Materials science & engineering. C, Materials for biological applications, 76, 153-160 (2017-05-10)
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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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