1-tert-butylbarbituric | 251468-74-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-tert-butylbarbituric
• 英文别名: 1-Tert-butyl-1,3-diazinane-2,4,6-trione
• CAS: 251468-74-3
• 化学式: C₈H₁₂N₂O₃
• 分子量: 184.195
• InChiKey: SQBZXNUIBGYFRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  66.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-吗啉-4-基-苯甲酰 、 1-tert-butylbarbituric 以 乙醇 为溶剂， 反应 1.08h， 以79%的产率得到(S*,S*)-1-tert-butyl-2,4,6-trioxospiro(perhydropyrimidino-5,5'-(1',3',4',9',10',10a'-hexahydro-2-oxa-4a-phenanthrene))
  参考文献：
  名称：

  Diastereoselective synthesis of 1-alkyl-2,4,6-trioxoperhydropyrimidine-5-spiro-3′-(1′,2′,3′,4′-tetrahydroquinolines)

  摘要：

  Knoevenagel products formed by the condensation of N-monoalkyl barbituric acids with o-tert-amino benzaldehydes undergo tert-amino effect reactions (T-reactions) yielding 1-alkyl-2,4,6-trioxoperhydropyrimidine-5-spiro-3'-(1',2',3',4'-tetrahydroquinoline) derivatives as a mixture of (S*,S*)- and (S*,R*)-diastereomers. Mostly, the major diastereomer has the S*,S*-configuration. According to X-ray diffraction data in the solid form and NOE data in solution, diastereoselectivity of the T-reactions can be associated with the structure of the Knoevenagel products whose conformation is fixed by the strong intramolecular C-H center dot center dot center dot pi interaction. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.06.015

文献信息

• COLORED COMPOSITION, COLORED CURED FILM, COLOR FILTER, METHOD FOR PRODUCING COLOR FILTER, LIQUID CRYSTAL DISPLAY DEVICE, SOLID-STATE IMAGING DEVICE, AND NOVEL DIPYRROMETHENE METAL COMPLEX COMPOUND OR TAUTOMER THEREOF
  申请人：FUJIFILM CORPORATION

  公开号：US20140038092A1

  公开（公告）日：2014-02-06

  A colored composition including at least one selected from the group consisting of a compound represented by the following formula (I) and a tautomer thereof. In formula (I), R 2 to R 5 each independently represent a hydrogen atom or a monovalent substituent, R 7 represents a hydrogen atom, a halogen atom, an alkyl group, or the like, Ma represents a metal or a metal compound, X 3 and X 4 each independently represent NR, a nitrogen atom, an oxygen atom, or a sulfur atom, R represents a hydrogen atom, an alkyl group, or the like, Y 1 and Y 2 each independently represent NRc, a nitrogen atom, or a carbon atom, Rc represents a hydrogen atom, an alkyl group, or the like, and R 8 and R 9 each independently represent an alkyl group, an alkenyl group, or the like. Z represents an atomic group that forms a nitrogen-containing ring having a specific structure.
• US4382983A
  申请人：——

  公开号：US4382983A

  公开（公告）日：1983-05-10
• US8778577B2
  申请人：——

  公开号：US8778577B2

  公开（公告）日：2014-07-15
• Diastereoselective synthesis of 1-alkyl-2,4,6-trioxoperhydropyrimidine-5-spiro-3′-(1′,2′,3′,4′-tetrahydroquinolines)
  作者：Konstantin A. Krasnov、Victor G. Kartsev、Victor N. Khrustalev

  DOI：10.1016/j.tet.2010.06.015

  日期：2010.8

  Knoevenagel products formed by the condensation of N-monoalkyl barbituric acids with o-tert-amino benzaldehydes undergo tert-amino effect reactions (T-reactions) yielding 1-alkyl-2,4,6-trioxoperhydropyrimidine-5-spiro-3'-(1',2',3',4'-tetrahydroquinoline) derivatives as a mixture of (S*,S*)- and (S*,R*)-diastereomers. Mostly, the major diastereomer has the S*,S*-configuration. According to X-ray diffraction data in the solid form and NOE data in solution, diastereoselectivity of the T-reactions can be associated with the structure of the Knoevenagel products whose conformation is fixed by the strong intramolecular C-H center dot center dot center dot pi interaction. (c) 2010 Elsevier Ltd. All rights reserved.