trans-3-chloroacrylamide | 3533-60-6

• 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: trans-3-chloroacrylamide
• 英文别名: (E)-3-chloropropenamide；trans-3-chloro-acrylic acid amide；trans-3-Chlor-acrylsaeure-amid；trans-β-Chloracrylsaeureamid；trans-β-Chlor-acrylamid；trans-3-Chlor-acrylamid；3-Chloroacrylamide；(E)-3-chloroprop-2-enamide
• CAS: 3533-60-6
• 化学式: C₃H₄ClNO
• 分子量: 105.524
• InChiKey: GDVYZGMAXSNLGM-OWOJBTEDSA-N

物化性质

• 熔点：
  143.5-145 °C(Solv: water (7732-18-5))
• 沸点：
  252.3±32.0 °C(Predicted)
• 密度：
  1.258±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  trans-3-chloroacrylamide 在 phosphorus pentoxide 作用下， 生成 trans-3-Chlor-acrylnitril
  参考文献：
  名称：

  Gryszkiewicz-Trochimowski; Schmidt; Gryszkiewicz-Trochimowski, Bulletin de la Societe Chimique de France, 1948, p. 593,596

  摘要：

  DOI：
• 作为产物：
  描述：

  (E)-3-Chloroacryloyl chloride 在 乙醚 、 氨 作用下， 生成 trans-3-chloroacrylamide
  参考文献：
  名称：

  Gryszkiewicz-Trochimowski; Schmidt; Gryszkiewicz-Trochimowski, Bulletin de la Societe Chimique de France, 1948, p. 593,596

  摘要：

  DOI：

文献信息

• Syntheses and properties of 5-substituted [n](2,4)pyridinophanes, model compounds of NAD(P)
  作者：Tadayoshi Oikawa、Nobuhiro Kanomata、Masaru Tada

  DOI：10.1021/jo00060a018

  日期：1993.4

  [n](2,4)Pyridinophane derivatives 5-8 having an ester or an amide group at the 5-position were synthesized by aza-Wittig reactions between beta-substituted vinyliminophosphoranes and cyclic alpha,beta-unsaturated ketones. [beta-(Methoxycarbonyl)vinyl]- (1), [beta-(N,N-tetramethylenecarbamoyl)vinyl]-(2), [beta-(N-benzylcarbamoyl)vinyl]-(3), and (beta-carbamoylvinyl)iminophosphorane (4) were synthesized from the corresponding vinyl azides and triphenylphosphine. The heptamethylene chains of 5-(methoxycarbonyl)[7](2,4)pyridinophane (5),5-(N,N-tetramethylenecarbamoyl)[7](2,4)pyridinophane (6), and 5-(N-benzylcarbamoyl)[7](2,4)pyridinophane (7) flipped with AG(double dagger) = 11.2 (T(c) = 10.3-degrees-C), 10.8 (T(c) = 0.2-degrees-C), and 10.5 kcal/mol (T(c) = -5.2-degrees-C), respectively. At lower temperatures, the three conformations of the heptamethylene bridge were frozen. Methylpyridinium iodides 10 (n = 7, 6, and 5) derived from 6 were reduced more easily [E1/2* (half height potential) = -1.65 V (n = 7); -1.63 V (n = 6); -1.29 V vs Ag/AgCl (n = 5)] than the reference compound, 2,4-diethyl-5-(N,N-tetramethylenecarbamoyl)pyridinium ion (11) [E1/2* = -1.82 V vs Ag/AgCl]. The reduced species dimerized quickly.
• η-C5H5(CO)LFe-substituted imidates of acrylic acid. Synthesis and structure
  作者：L.V. Rybin、E.A. Petrovskaya、A.S. Batsanov、Yu.T. Struchkov、M.I. Rybinskaya

  DOI：10.1016/s0022-328x(00)85529-1

  日期：1981.5
• Gryszkiewicz-Trochimowski; Schmidt; Gryszkiewicz-Trochimowski, Bulletin de la Societe Chimique de France, 1948, p. 593,596
  作者：Gryszkiewicz-Trochimowski、Schmidt、Gryszkiewicz-Trochimowski

  DOI：——

  日期：——