4-hydroxymethyl-2-phenyl-[1.3.2]dithiarsolane | 26008-87-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-hydroxymethyl-2-phenyl-[1.3.2]dithiarsolane
• 英文别名: Phenyldithioarsonigsaeure-(3-hydroxy-propylenester)；4-Hydroxymethyl-2-phenyl-[1.3.2]dithiarsolan；(2-Phenyl-1,3,2-dithiarsolan-4-yl)methanol
• CAS: 26008-87-7
• 化学式: C₉H₁₁AsOS₂
• 分子量: 274.239
• InChiKey: AECRHNGUSCTMAL-UHFFFAOYSA-N

物化性质

• 熔点：
  97-98 °C
• 沸点：
  390.4±34.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.22
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  70.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯胂酸 以 水 为溶剂， 反应 0.5h， 生成 4-hydroxymethyl-2-phenyl-[1.3.2]dithiarsolane
  参考文献：
  名称：

  (2-Phenyl-[1,3,2]dithiarsolan-4-yl)-methanol derivatives show in vitro antileukemic activity

  摘要：

  The antileukemic activity of a series of (2-Phenyl-[1,3,2]dithiarsolan-4-yl)-methanol derivatives was tested on K562 and U937 human leukemia cell lines. Their systemic toxicity was estimated by the corresponding LD50 on mice. The cytotoxic activity of each derivative was significantly better than that of arsenic trioxide and the therapeutic index (T.I. = LD50/IC50) was improved. No correlation between log P and the activity or the toxicity was found. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.11.007

文献信息

• 2D NMR studies of the phenyldichloroarsine—british anti—lewisite adduct
  作者：Kilian Dill、Earle R. Adams、Richard J. O'Connor、Evelyn L. McGown

  DOI：10.1002/mrc.1260251211

  日期：1987.12

  One- and two-dimensional NMR spectroscopy was used to determine the structure of the phenyldichloroarsine-British anti-lewisite adduct. The major component had the hydroxymethyl group in the anti orientation with respect to the phenyl ring on the arsenous atom. This structure was based on the chemical shifts of the 1H and 13C resonances and on the respective homonuclear coupling constants.

  一维和二维核磁共振波谱被用于确定苯二氯砷-英国抗路易斯毒气剂加合物的结构。主要成分的羟甲基团以反式取向相对于砷原子上的苯环。这一结构基于1H和13C共振的化学位移以及相应的同核耦合常数。
• 108. 2 : 3-Dimercaptopropanol (“British Anti-Lewisite”) and related compounds
  作者：L. A. Stocken

  DOI：10.1039/jr9470000592

  日期：——