5,5-di-(n-butyl)imidazolidine-2,4-dione | 7148-46-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 5,5-di-(n-butyl)imidazolidine-2,4-dione
• 英文别名: 5,5-dibutyl-imidazolidine-2,4-dione；5,5-Di-n-butyl hydantoin；5,5-Dibutylimidazolidine-2,4-dione
• CAS: 7148-46-1
• 化学式: C₁₁H₂₀N₂O₂
• 分子量: 212.292
• InChiKey: PATKJKYTQOWBRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5,5-di-(n-butyl)imidazolidine-2,4-dione 生成 5-氨基壬烷-5-羧酸
  参考文献：
  名称：

  几种脂族氨基酸类似物的初步生物学研究。

  摘要：

  DOI：

  10.1021/jm00273a004
• 作为产物：
  描述：

  ammonium carbonate 、 5-壬酮 在 potassium cyanide 作用下， 以 甲醇 、 水 为溶剂， 以86%的产率得到5,5-di-(n-butyl)imidazolidine-2,4-dione
  参考文献：
  名称：

  Supramolecular Architectures in 5,5′-Substituted Hydantoins: Crystal Structures and Hirshfeld Surface Analyses

  摘要：

  A series of three 5,5'-substituted hydantoin derivatives (1-3) were synthesized, and their crystal structures were solved using single-crystal synchrotron/powder-crystal X-ray diffraction data with a detailed analysis oil Hirshfeld surfaces and fingerprint plots facilitating a comparison of intermolecular interactions in building different supramolecular architectures. A comparison of supramolecular assembly in the compounds with that in similar 5,5'-substituted hydantoins in the Cambridge Structural Database (CSD) has been presented. The crystal packing in compounds 1-3 containing complementary hydrogen bonding groups, i.e. the amino NH donors and carbonyl 0 acceptors, exhibits three types of supramolecular synthons. In the dipropyl substituted hydantoin (1), intermolecular N-H center dot center dot center dot O hydrogen bonds with only one carbonyl O atom acting as a double acceptor generate a one-dimensional C-1(1)(4)C-1(1)(4)[R-2(2)(8)] network propagating along the [100] direction, while in 3, a 5-spiro fused hydantoin, the cyclic R-2(2)(8) motifs self-organize through pairs of N-H center dot center dot center dot O hydrogen bonds to form a C-2(2)(9)[R-2(2)(8)][R-2(2)(8)] framework running along the [1-10] direction. The molecular assembly in 2. with a dibutyl substitution at the hydantoin C-5 position, produces R-4(4)(17) synthons, which are edge-fused to form two-dimensional molecular sheets in the (100) plane. The formation of a supramolecular architecture built with an R-4(4)(17) synthon is unprecedented among the substituted hydantoin structures in the CSD.

  DOI：

  10.1021/cg100706n

文献信息

• Facile one-pot synthesis of 5-substituted hydantoins
  作者：Ross G. Murray、David M. Whitehead、Franck Le Strat、Stuart J. Conway

  DOI：10.1039/b719675j

  日期：——

  5-Substituted and 5,5-disubstituted hydantoins are synthesised from the corresponding aldehydes or ketones, using a one-pot, gallium(III) triflate-catalysed procedure that is compatible with a range of substrates and solvents.

  5-取代和5,5-二取代海因是由相应的醛或酮通过一步法合成，采用与多种底物和溶剂兼容的镓(III)三氟甲磺酸盐催化过程。
• Methods and systems for uniform control of bromine concentrations in water
  申请人：——

  公开号：US20030102271A1

  公开（公告）日：2003-06-05

  Reduced stabilization time of oxidation-reduction potential is achieved in a recreational body of water by baseloading bromide ions and dialkylhydantoin prior to biocidal treatment of the water body with N,N′-dihalo-5,5-dialkylhydantoin.

  在用 N,N′-二卤代-5,5-二烷基海因对水体进行杀菌处理之前，先对溴离子和二烷基海因进行基荷处理，从而缩短娱乐水体氧化还原电位的稳定时间。
• US4189587A
  申请人：——

  公开号：US4189587A

  公开（公告）日：1980-02-19
• US6749758B2
  申请人：——

  公开号：US6749758B2

  公开（公告）日：2004-06-15
• [EN] METHODS AND SYSTEMS FOR UNIFORM CONTROL OF BROMINE CONCENTRATIONS IN WATER<br/>[FR] PROCEDES ET SYSTEMES DESTINES A LA REGULATION UNIFORME DES CONCENTRATIONS DE BROME DANS L'EAU
  申请人：ALBEMARLE CORP

  公开号：WO2003047345A2

  公开（公告）日：2003-06-12

  Reduced stabilization time of oxidation-reduction potential is achieved in a recreational body of water by baseloading bromide ions and dialkylhydantoin prior to biocidal treatment of the water body with N,N'-dihalo-5,5dialkylhydantoin.