3-(2,6-二氯苯基)-3-氧代丙酸乙酯 | 72835-87-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-(2,6-二氯苯基)-3-氧代丙酸乙酯
• 中文别名: 2,6-二氯苯甲酰乙酸乙酯；3-(2,6-二氯苯基)-3-氧丙酸乙酯
• 英文名称: ethyl 3-(2,6-dichlorophenyl)-3-oxopropanoate
• CAS: 72835-87-1
• 化学式: C₁₁H₁₀Cl₂O₃
• 分子量: 261.105
• InChiKey: GJUHMKHPXHMWQI-UHFFFAOYSA-N

物化性质

• 沸点：
  132-134 °C(Press: 0.6 Torr)
• 密度：
  1.319±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090
• 危险性防范说明：
  P264,P270,P301+P312,P330
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  3-(2,6-二氯苯基)-3-氧代丙酸乙酯 在 palladium on activated charcoal 氢氧化钾 、 氯化亚砜 、 氢气 作用下， 以 乙醇 、 溶剂黄146 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 8.0h， 生成 6-phenyl-5,8-diazabenzophenanthrene
  参考文献：
  名称：

  Bloomfield, Derek G.; Upton, Christopher; Vipond, Hilton J., Journal of the Chemical Society. Perkin transactions I, 1986, p. 857 - 860

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl potassium malonate 、 2,6-二氯苯甲酰氯 在 三乙胺 、 magnesium chloride 作用下， 以 乙腈 为溶剂， 反应 2.5h， 生成 3-(2,6-二氯苯基)-3-氧代丙酸乙酯
  参考文献：
  名称：

  Discovery of Potent and Selective Pyrazolopyrimidine Janus Kinase 2 Inhibitors

  摘要：

  The discovery of somatic Jak2 mutations in patients with chronic myeloproliferative neoplasms has led to significant interest in disc-ova-ring selective Jak2 inhibitors for use in treating these disorders. A high-throughput screening effort identified the pyrazolo[1,5-a]pyrimidine scaffold as a potent inhibit-or of Jak2. Optimization of lead compounds 7a-b and 8 in this chemical series for activity against Jak2, selectivity against other Jak family kinases, and good in vivo pharmacokinetic properties led to the discovery of 7j. In a SET2 xenograft model that is dependent on Jak2 for growth, 7j demonstrated a time-dependent knock-down of pSTAT5, a downstream target of Jak2.

  DOI：

  10.1021/jm3012239

文献信息

• [EN] MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO<br/>[FR] MOLÉCULES PRÉSENTANT UNE UTILITÉ EN TANT QUE PESTICIDES, ET INTERMÉDIAIRES, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2016099929A1

  公开（公告）日：2016-06-23

  This disclosure relates to the field of molecules having pesticidal utility against pests in Phyla Arthropoda, Mollusca, and Nematoda, processes to produce such molecules, intermediates used in such processes, compositions containing such molecules, and processes of using such molecules and compositions against such pests. These molecules and compositions may be used, for example, as acaricides, insecticides, miticides, molluscicides, and nematicides. This document discloses molecules having the following formula ("Formula One").

  这份披露涉及具有对节肢动物门、软体动物门和线虫门害虫有用的杀虫作用的分子领域，用于生产这种分子的过程，用于这种过程的中间体，含有这种分子的组合物，以及使用这种分子和组合物对抗这些害虫的过程。这些分子和组合物可以用作螨虫剂、杀虫剂、螨虫剂、杀软体动物剂和线虫剂，例如。本文件披露了具有以下式（“式一”）的分子。
• BLOOMFIELD D. G.; UPTON CH.; VIPOND H. J., J. CHEM. SOC. PERKIN TRANS.,(1986) N 6, 857-860
  作者：BLOOMFIELD D. G.、 UPTON CH.、 VIPOND H. J.

  DOI：——

  日期：——
• TRIAZOLES DERIVATIVES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO
  申请人：Dow AgroSciences LLC

  公开号：EP3232788B1

  公开（公告）日：2019-06-12
• MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO
  申请人：Dow AgroSciences LLC

  公开号：EP3232788A1

  公开（公告）日：2017-10-25
• Discovery of Potent and Selective Pyrazolopyrimidine Janus Kinase 2 Inhibitors
  作者：Emily J. Hanan、Anne van Abbema、Kathy Barrett、Wade S. Blair、Jeff Blaney、Christine Chang、Charles Eigenbrot、Sean Flynn、Paul Gibbons、Christopher A. Hurley、Jane R. Kenny、Janusz Kulagowski、Leslie Lee、Steven R. Magnuson、Claire Morris、Jeremy Murray、Richard M. Pastor、Tom Rawson、Michael Siu、Mark Ultsch、Aihe Zhou、Deepak Sampath、Joseph P. Lyssikatos

  DOI：10.1021/jm3012239

  日期：2012.11.26

  The discovery of somatic Jak2 mutations in patients with chronic myeloproliferative neoplasms has led to significant interest in disc-ova-ring selective Jak2 inhibitors for use in treating these disorders. A high-throughput screening effort identified the pyrazolo[1,5-a]pyrimidine scaffold as a potent inhibit-or of Jak2. Optimization of lead compounds 7a-b and 8 in this chemical series for activity against Jak2, selectivity against other Jak family kinases, and good in vivo pharmacokinetic properties led to the discovery of 7j. In a SET2 xenograft model that is dependent on Jak2 for growth, 7j demonstrated a time-dependent knock-down of pSTAT5, a downstream target of Jak2.