5-hexenoylhydrazide | 114578-37-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-hexenoylhydrazide
• 英文别名: hex-5-enohydrazide；hex-5-enoic acid hydrazide；Hex-5-ensaeure-hydrazid；Hex-5-enoyl-hydrazin；Hex-5-enehydrazide
• CAS: 114578-37-9
• 化学式: C₆H₁₂N₂O
• mdl: MFCD14155856
• 分子量: 128.174
• InChiKey: JQYPHLJCOVCYKR-UHFFFAOYSA-N

物化性质

• 熔点：
  48 °C
• 沸点：
  276.0±19.0 °C(Predicted)
• 密度：
  0.968±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-hexenoylhydrazide 在 盐酸 、 sodium carbonate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 26.0h， 生成 3,4,4a,5,6,7-hexahydro-2-phenylpyrido<1,2-b>pyridazin-8-one
  参考文献：
  名称：

  Gilchrist, Thomas L.; Wasson, Robert C.; King, Frank D., Journal of the Chemical Society. Perkin transactions I, 1987, p. 2511 - 2516

  摘要：

  DOI：
• 作为产物：
  描述：

  6-己内酯 在 氢气 、 肼 作用下， 以 甲醇 为溶剂， 以81%的产率得到5-hexenoylhydrazide
  参考文献：
  名称：

  Synthesis of silica-bound amylose by phosphorolytic elongation of immobilised maltoheptaosyl hydrazides

  摘要：

  Maltoheptaoside-alkoxysilane anchor molecules were synthesised by fusing aliphatic co-Si(OEt3) hydrazide linkers with maltoheptaose. After immobilisation of the primers on porous silica, support-bound amylose was synthesised by phosphorolytic synthesis. The hydrazone linkage as a pre-formed cleavage site allowed removal and Subsequent characterisation of immobilised amylose, which showed a broad molecular weight distribution. Under HPLC conditions, amylose assumed a non-helical conformation, making surface interactions and not complexation the primary separation mechanism. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01293-5

文献信息

• Triazolyl Azabicyclo[3.1.0]hexanes: a Class of Potent and Selective Dopamine D3 Receptor Antagonists
  作者：Giorgio Bonanomi、Simone Braggio、Anna Maria Capelli、Anna Checchia、Romano Di Fabio、Carla Marchioro、Luca Tarsi、Giovanna Tedesco、Silvia Terreni、Angela Worby、Christian Heibreder、Fabrizio Micheli

  DOI：10.1002/cmdc.201000026

  日期：2010.5.3

  Herein we report a detailed description of the structure–activity relationships for a novel series of “C‐linked” 1,2,4‐triazolylazabicyclo[3.1.0]hexanes. These derivatives are endowed with very high in vitro affinity and selectivity for the dopamine D3 receptor. An optimization with respect to undesired affinity toward the hERG potassium channel is also reported. Members of this compound series also

  本文中，我们报告了一系列新型“ C连接” 1,2,4-三唑基氮杂双环[3.1.0]己烷的结构活性关系的详细描述。这些衍生物被赋予对多巴胺D 3受体非常高的体外亲和力和选择性。还报道了关于对hERG钾通道的不希望的亲和力的优化。该化合物系列的成员还显示出优异的体外和体内药代动力学特性。
• Huisgen; Reinertshofer, Justus Liebigs Annalen der Chemie, 1952, vol. 575, p. 197,214
  作者：Huisgen、Reinertshofer

  DOI：——

  日期：——
• GILCHRIST, THOMAS L.;WASSON, ROBERT C.;KING, FRANK D.;WOOTTON, GORDON, J. CHEM. SOC. PERKIN TRANS.,(1987) N 11, 2511-2516
  作者：GILCHRIST, THOMAS L.、WASSON, ROBERT C.、KING, FRANK D.、WOOTTON, GORDON

  DOI：——

  日期：——
• Gilchrist, Thomas L.; Wasson, Robert C.; King, Frank D., Journal of the Chemical Society. Perkin transactions I, 1987, p. 2511 - 2516
  作者：Gilchrist, Thomas L.、Wasson, Robert C.、King, Frank D.、Wootton, Gordon

  DOI：——

  日期：——
• Synthesis of silica-bound amylose by phosphorolytic elongation of immobilised maltoheptaosyl hydrazides
  作者：Hans-Georg Breitinger

  DOI：10.1016/s0040-4039(02)01293-5

  日期：2002.8

  Maltoheptaoside-alkoxysilane anchor molecules were synthesised by fusing aliphatic co-Si(OEt3) hydrazide linkers with maltoheptaose. After immobilisation of the primers on porous silica, support-bound amylose was synthesised by phosphorolytic synthesis. The hydrazone linkage as a pre-formed cleavage site allowed removal and Subsequent characterisation of immobilised amylose, which showed a broad molecular weight distribution. Under HPLC conditions, amylose assumed a non-helical conformation, making surface interactions and not complexation the primary separation mechanism. (C) 2002 Elsevier Science Ltd. All rights reserved.