5,5-二丙基咪唑烷-2,4-二酮 | 36033-33-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 5,5-二丙基咪唑烷-2,4-二酮
• 英文名称: 5,5-dipropylimidazolidine-2,4-dione
• 英文别名: 5,5-Dipropyl-imidazolidin-2,4-dion；5,5-Dipropyl-imidazolidine-2,4-dione
• CAS: 36033-33-7
• 化学式: C₉H₁₆N₂O₂
• mdl: MFCD03951076
• 分子量: 184.238
• InChiKey: TVKULRRHIFBSPZ-UHFFFAOYSA-N

物化性质

• 熔点：
  188-191 °C
• 密度：
  1.021±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  5,5-二丙基咪唑烷-2,4-二酮 在 barium hydroxide octahydrate 、 水 作用下， 反应 48.0h， 生成 二-n-丙基甘氨酸
  参考文献：
  名称：

  Synthesis and biological activity of nociceptin/orphanin FQ analogues substituted in position 7 or 11 with Cα,α-dialkylated amino acids

  摘要：

  Previous structure-activity and NMR studies on nociceptin/orphanin FQ (N/OFQ) demonstrated that Aib substitution of Ala(7) and/or Ala(11) increases the peptide potency through an alpha helix structure induction mechanism. On these bases we synthesised and evaluated pharmacologically in the mouse vas deferens assay a series of N/OFQ-NH2 analogues substituted in position 7 and 11 with C alpha,alpha-disubstituted cyclic, linear and branched amino acids. None of the 20 novel N/OFQ analogues produced better results than [Aib(7)]N/OFQ-NH2. Thus, this substitution was combined with other chemical modifications known to modulate peptide potency and/or efficacy generating compound 21 [Nphe(1)Aib(7) Arg(14) Lys(15)] N/OFQ-NH2 (coded as UFP- 111), compound 22 [(pF)Phe(4) Aib(7) Arg(14) Lys(15)] N/OFQ-NH2 (UFP-112) and compound 23 [Phe psi(CH2-NH)Gly(2) (pF)Phe(4)Aib(7)Arg(14)Lys(15)]N/OFQ-NH2 (UFP- 113). These novel peptides behaved as highly potent NOP receptor ligands showing full (UFP- 112) and partial (UFP- 113) agonist and pure antagonist (UFP- 111) activities in a series of in vitro functional assays performed on pharmacological preparations expressing native as well as recombinant NOP receptors. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.04.026
• 作为产物：
  描述：

  2-propyl-2-ureido-valeronitrile 在 盐酸 作用下， 生成 5,5-二丙基咪唑烷-2,4-二酮
  参考文献：
  名称：

  DE310427

  摘要：

  公开号：

文献信息

• Stabilised compositions having and antibacterial activity
  申请人：——

  公开号：US20030186955A1

  公开（公告）日：2003-10-02

  A stabilised composition having antibacterial, antiviral and/or antifungal activity, said composition comprising silver ions and a ligand, characterised in that the composition comprises a complex of silver and a ligand selected from the group consisting of 5,5-disubstituted hydantoins in which the substituents do not comprise conjugated unsaturated bonds and barbituric acid and derivatives thereof stabilising silver ions against reduction to free silver in a hydrophilic environment, and that the composition has a solubility in water higher than 10 mg Ag/l is stable during sterilisation and retains the activity without giving rise to darkening or discoloration of the dressing during storage.

  具有抗菌、抗病毒和/或抗真菌活性的稳定化合物，该化合物包含银离子和配体，其特征在于该化合物包含银和配体的复合物，所述配体选自5,5-二取代咪唑烷酮（其取代基不包括共轭不饱和键）和巴比妥酸及其衍生物，稳定银离子以防止在亲水环境中还原为自由银，并且该化合物在水中的溶解度高于10毫克Ag/l，在灭菌过程中稳定，并且在贮存期间不会导致敷料变黑或变色。
• 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。
• Supramolecular Architectures in 5,5′-Substituted Hydantoins: Crystal Structures and Hirshfeld Surface Analyses
  作者：Basab Chattopadhyay、Alok K. Mukherjee、N. Narendra、H. P. Hemantha、Vommina V. Sureshbabu、Madeliene Helliwell、Monika Mukherjee

  DOI：10.1021/cg100706n

  日期：2010.10.6

  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.
• Errera, Gazzetta Chimica Italiana, 1896, vol. 26 I, p. 201
  作者：Errera

  DOI：——

  日期：——
• Preliminary biological studies of several aliphatic amino acid analogs
  作者：C. J. Abshire、G. Planet

  DOI：10.1021/jm00273a004

  日期：1972.3