Sodium p-methyl-trans-cinnamate | 83168-90-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: Sodium p-methyl-trans-cinnamate
• 英文别名: sodium-p-methylcinnamate；sodium;(E)-3-(4-methylphenyl)prop-2-enoate
• CAS: 83168-90-5
• 化学式: C₁₀H₉O₂*Na
• 分子量: 184.17
• InChiKey: DEPFGARMODZKLP-UHDJGPCESA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.24
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Sodium p-methyl-trans-cinnamate 、 2-溴-4'-甲基苯乙酮 以 水 、 丙酮 为溶剂， 生成 (E)-3-p-Tolyl-acrylic acid 2-oxo-2-p-tolyl-ethyl ester
  参考文献：
  名称：

  Srinavasan, Chockalingam; Shunmugasundaram, Arunachalam; Arumugam, Natesan, Journal of the Chemical Society. Perkin transactions II, 1985, p. 17 - 20

  摘要：

  DOI：
• 作为产物：
  描述：

  4-methylcinnamic acid 在 碳酸氢钠 作用下， 以 水 为溶剂， 生成 Sodium p-methyl-trans-cinnamate
  参考文献：
  名称：

  One-pot synthesis, characterization, DNA binding and enzymatic studies of 4-methyl trans-cinnamate zinc(II)-mixed ligand complexes

  摘要：

  Four new zinc(II) complexes formulated as [Zn(L)(2)] (1), [Zn(L)(2)(phen)] (2), [Zn(L)(2)(bipy)H2O] (3), and [Zn(en)(2)(H2O)(2)](L)(2)(H2O)(2) (4), where HL = 4-methyl trans-cinnamic acid, bipy = 2,2'-bipyridine, phen = 1,10-phenanthroline, and en = ethylenediamine, have been synthesized and characterized by FT-IR and NMR spectroscopy. Single-crystal XRD revealed distorted square-pyramidal structure for 3 and octahedral for 4. The complexes were screened for DNA interaction via viscommetry and UV-visible spectroscopy. The apparent binding constants were calculated to be 1.18 x 10(4), 1.26 x 10(5), 4.64 x 10(4), and 1.89 x 10(4) for 1-4, respectively. The binding propensity to salmon sperm DNA was in the order: K-2 > K-3 > K-4 > K-1. Furthermore, these complexes demonstrated efficient inhibition of alkaline phosphatase, which was attributed to the binding of zinc(II) to the enzyme's active site.

  DOI：

  10.1080/00958972.2015.1073269

文献信息

• ZnTPPS-sensitized photodebromination of 2,3-dibromo-3-phenylpropionic acids. Electron transfer initiated chain debromination
  作者：Katsuhiko Takagi、Nobuhisa Miyake、Eiichi Nakamura、Yasuhiko Sawaki、Noboru Koga、Hiizu Iwamura

  DOI：10.1021/jo00243a019

  日期：1988.4
• Srinivasan, C.; Shunmugasundaram, A.; Arumugam, N., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 6, p. 467 - 470
  作者：Srinivasan, C.、Shunmugasundaram, A.、Arumugam, N.

  DOI：——

  日期：——
• Srinivasan, C.; Shunmugasundaram, A.; Arumugam, N., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1982, vol. 21, # 4, p. 355 - 356
  作者：Srinivasan, C.、Shunmugasundaram, A.、Arumugam, N.

  DOI：——

  日期：——
• LEE, IKCHOON;KOH, HAN JOONG;HUH, CHUL;LEE, HAI WHANG, J. PHYS. ORG. CHEM., 3,(1990) N, C. 550-554
  作者：LEE, IKCHOON、KOH, HAN JOONG、HUH, CHUL、LEE, HAI WHANG

  DOI：——

  日期：——
• Srinavasan, Chockalingam; Shunmugasundaram, Arunachalam; Arumugam, Natesan, Journal of the Chemical Society. Perkin transactions II, 1985, p. 17 - 20
  作者：Srinavasan, Chockalingam、Shunmugasundaram, Arunachalam、Arumugam, Natesan

  DOI：——

  日期：——