O-phenyl ethylphosphonothioic acid | 101246-55-3

• 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: O-phenyl ethylphosphonothioic acid
• 英文别名: ethyl-O-phenylthiophosphonate；ethyl-O-phenylthiophosphonic acid；ethyl-hydroxy-phenoxy-sulfanylidene-λ5-phosphane
• CAS: 101246-55-3
• 化学式: C₈H₁₁O₂PS
• 分子量: 202.214
• InChiKey: PVKAGBOJPSNIOC-UHFFFAOYSA-N

物化性质

• 沸点：
  270.3±23.0 °C(Predicted)
• 密度：
  1.202±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  O-phenyl ethylphosphonothioic acid 在 五氯化磷 作用下， 以 二氯甲烷 为溶剂， 反应 0.83h， 生成 ethyl-O-phenyl-S-(3-chloropropyl) thiophosphonate
  参考文献：
  名称：

  Transformations of hydroxyalkyl esters of thiophosphonic acids containing a phenoxy or dialkylamido group at the phosphorus atom

  摘要：

  DOI：

  10.1007/bf01142812
• 作为产物：
  描述：

  O,O'-diphenyl ethylphosphonothioate 在 氢氧化钾 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 6.0h， 生成 O-phenyl ethylphosphonothioic acid
  参考文献：
  名称：

  Synthesis and chiral recognition ability of O-phenyl ethylphosphonothioic acid with a conformationally flexible phenoxy group for CH/π interaction

  摘要：

  Enantiopure O-phenyl ethylphosphonothioic acid 1 was easily obtained by the enantioseparation of racemic 1, which was prepared from commercially available phosphorothioic trichloride in four steps. Enantiopure 1 was found to show an excellent chiral recognition ability for various 1-arylethylamine derivatives during the diastereomeric salt formation. In particular, enantiopure 1 was able to recognize the chirality of o- and m-substituted 1-arylethylamine derivatives, of which the chirality is generally difficult to establish by conventional resolving agents. X-ray crystallographic analyses of the less-soluble diastereomeric salts revealed that the conformation of the phenoxy group in enantiopure 1 could change in the diastercomeric salt crystals and that the excellent chiral recognition ability of enantiopure 1 resulted from the effective CH/pi interaction of the phenoxy phenyl group. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2006.03.009

文献信息

• Thieno-pyrimidine compounds having fungicidal activity
  申请人：Brewster Kirkland William

  公开号：US20070093498A1

  公开（公告）日：2007-04-26

  The present invention relates to thieno[2,3-d]-pyrimidine compounds having fungicidal activity.

  本发明涉及具有杀真菌活性的噻吩[2,3-d]-嘧啶化合物。
• N1-acyl-5-fluoropyrimidinone derivatives
  申请人：Boebel Timothy A.

  公开号：US20110034490A1

  公开（公告）日：2011-02-10

  This present disclosure is related to the field of N1-acyl-5-fluoropyrimidinones and their derivatives and to the use of these compounds as fungicides.

  本公开涉及N1-酰基-5-氟嘧啶酮及其衍生物领域，以及将这些化合物用作杀真菌剂的用途。
• 5-FLUORO PYRIMIDINE DERIVATIVES
  申请人：Benko Zoltan L.

  公开号：US20090203647A1

  公开（公告）日：2009-08-13

  This present disclosure is related to the field of 5-fluoro pyrimidines and their derivatives and to the use of these compounds as fungicides.

  本公开涉及5-氟嘧啶及其衍生物领域，以及将这些化合物用作杀真菌剂的用途。
• INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES
  申请人：Niyaz Noormohamed M.

  公开号：US20090093481A1

  公开（公告）日：2009-04-09

  (1,3,5)-Triazinyl phenyl hydrazones are effective at controlling insects.

  (1,3,5)-三嗪基苯基肼对控制昆虫有效。
• INSECTICIDAL SUBSTITUTED AZINYL DERIVATIVES
  申请人：Niyaz Noormahamed M.

  公开号：US20090093486A1

  公开（公告）日：2009-04-09

  N-Azinyl-N′-aryl ureas and thioureas derivatives are effective at controlling insects.

  N-芳基-N'-芳基脲和硫脲衍生物对控制昆虫有效。