(2-O-butyloxime-3-phenyl)propionic acid | 681290-25-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: (2-O-butyloxime-3-phenyl)propionic acid
• 英文别名: (2E)-2-butoxyimino-3-phenylpropanoic acid
• CAS: 681290-25-5
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: PCMQTIJUTSHDBG-WYMLVPIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  58.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-O-butyloxime-3-phenyl)propionic acid 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 生成 [(3aR,4R,7aR)-5-[(2S)-5-acetyloxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] (2E)-2-butoxyimino-3-phenylpropanoate
  参考文献：
  名称：

  Studies on 1- O -acetylbritannilactone and its derivative, (2- O -butyloxime-3-phenyl)-propionyl-1- O -acetylbritannilactone ester

  摘要：

  The crystal structures of 1-O-acetylbritannilactone 6 isolated from Inula britannica, and its derivative (2-O-butyloxime-3-phenyl) propionyl 1-O-acetylbritannilactone ester 7 are reported. The structure of synthesized derivative 7 was established by spectroscopic methods. Both compounds inhibited the growth of human HL-60, Bel-7402 cell lines and compound 7 had the stronger cytotoxic activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.078
• 作为产物：
  描述：

  苄基丙二酸二乙酯 在 sodium hydroxide 、 亚硝酸乙酯 、 硫酸 、 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 生成 (2-O-butyloxime-3-phenyl)propionic acid
  参考文献：
  名称：

  Studies on 1- O -acetylbritannilactone and its derivative, (2- O -butyloxime-3-phenyl)-propionyl-1- O -acetylbritannilactone ester

  摘要：

  The crystal structures of 1-O-acetylbritannilactone 6 isolated from Inula britannica, and its derivative (2-O-butyloxime-3-phenyl) propionyl 1-O-acetylbritannilactone ester 7 are reported. The structure of synthesized derivative 7 was established by spectroscopic methods. Both compounds inhibited the growth of human HL-60, Bel-7402 cell lines and compound 7 had the stronger cytotoxic activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.078