3-(1-hydroxyethyl)isochromen-1-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异香豆素及其衍生物
• 英文名称: 3-(1-hydroxyethyl)isochromen-1-one
• 化学式: C₁₁H₁₀O₃
• 分子量: 190.199
• InChiKey: JGZQSZOUIWKENH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-碘苯甲酸 、 3-丁炔-2-醇 在 copper(l) iodide palladium on activated charcoal 、 三乙胺 、 三苯基膦 作用下， 以 乙醇 为溶剂， 反应 16.5h， 以66%的产率得到3-(1-hydroxyethyl)isochromen-1-one
  参考文献：
  名称：

  Synthesis of Isocoumarins via Pd/C-Mediated Reactions of o-Iodobenzoic Acid with Terminal Alkynes

  摘要：

  The coupling reaction of o-iodobenzoic acid with terminal alkynes by using a catalyst system of 10% Pd/C-Et3N-CuI-PPh3 has been studied in a variety of solvents. 3-Substituted isocoumarins were formed in good yields and with good regioselectivity when the reaction was performed in EtOH.

  DOI：

  10.1021/jo050440e

文献信息

• [EN] ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS<br/>[FR] DÉRIVÉS D'ISOCHROMÈNE UTILES EN TANT QU'INHIBITEURS DES PHOSPHOINOSITIDE 3-KINASES
  申请人：CHIESI FARMA SPA

  公开号：WO2015091685A1

  公开（公告）日：2015-06-25

  The invention relates to compounds inhibiting phosphoinositide 3-kinases (PI3K), to pharmaceutical compositions comprising them and therapeutic use thereofin the treatment of disorders associated with PI3K enzymes.

  本发明涉及抑制磷脂酰肌醇3-激酶（PI3K）的化合物，包括含有它们的药物组合物以及它们在治疗与PI3K酶相关疾病的用途。
• ISOCHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS
  申请人：CHIESI FARMACEUTICI S.p.A.

  公开号：US20150166549A1

  公开（公告）日：2015-06-18

  Compounds of formula (I) described herein are useful for inhibiting phosphoinositide 3-kinases (PI3K) and the treatment of disorders associated with PI3K enzymes.

  根据此处描述的公式(I)的化合物对于抑制磷脂酰肌醇3-激酶（PI3K）以及治疗与PI3K酶相关联的疾病是有用的。
• ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS
  申请人：Chiesi Farmaceutici S.p.A.

  公开号：EP3083617A1

  公开（公告）日：2016-10-26
• US9321776B2
  申请人：——

  公开号：US9321776B2

  公开（公告）日：2016-04-26
• Synthesis of Isocoumarins via Pd/C-Mediated Reactions of <i>o</i>-Iodobenzoic Acid with Terminal Alkynes
  作者：Venkataraman Subramanian、Venkateswara Rao Batchu、Deepak Barange、Manojit Pal

  DOI：10.1021/jo050440e

  日期：2005.6.1

  The coupling reaction of o-iodobenzoic acid with terminal alkynes by using a catalyst system of 10% Pd/C-Et3N-CuI-PPh3 has been studied in a variety of solvents. 3-Substituted isocoumarins were formed in good yields and with good regioselectivity when the reaction was performed in EtOH.