1-(5-chloro-2-((2-methylallyl)oxy)phenyl)ethan-1-one | 1210038-71-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(5-chloro-2-((2-methylallyl)oxy)phenyl)ethan-1-one
• 英文别名: 5'-chloro-2'-(2-methyl-2-propenyloxy)acetophenone；1-[5-chloro-2-(2-methylprop-2-enoxy)phenyl]ethanone
• CAS: 1210038-71-3
• 化学式: C₁₂H₁₃ClO₂
• mdl: MFCD16313414
• 分子量: 224.687
• InChiKey: QRUYISSVLSJNBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(5-chloro-2-((2-methylallyl)oxy)phenyl)ethan-1-one 在 aluminum (III) chloride 作用下， 以 二氯甲烷 为溶剂， 以17%的产率得到7-Acetyl-5-chloro-2,2-dimethyl-2,3-dihydrobenzofuran
  参考文献：
  名称：

  EP2319831

  摘要：

  公开号：
• 作为产物：
  描述：

  2-羟基-5-氯苯乙酮 、 3-溴-2-甲基丙烯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以6.72 g的产率得到1-(5-chloro-2-((2-methylallyl)oxy)phenyl)ethan-1-one
  参考文献：
  名称：

  MACROLIDE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF

  摘要：

  提供了一种由化学式(I)表示的大环内酯衍生物，其制备方法以及将该大环内酯衍生物作为TRK、ALK和ROS1蛋白激酶的抑制剂的应用。

  公开号：

  EP3974434A1

文献信息

• Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：US08088817B2

  公开（公告）日：2012-01-03

  A compound represented by the following formula (1) or a salt thereof: The compound has an inhibitory activity on the production of interleukin-6, and is therefore useful as a therapeutic agent for a disease associated with interleukin-6, ocular inflammatory diseases and the like. In the formula, R1 represents a halogen atom, a hydrogen atom, a lower alkyl group which may have a substituent, a formyl group, or a lower alkylcarbonyl group which may have a substituent, R2 represents a bicyclic hydrocarbon group which may have a substituent or a bicyclic heterocyclic group which may have a substituent, R3 represents a hydrogen atom, a lower alkyl group which may have a substituent, an aryl group which may have a substituent, or an acyl group.

  以下式（1）所表示的化合物或其盐： 该化合物具有抑制白细胞介素-6的产生活性，因此可用作治疗与白细胞介素-6、眼部炎症等相关的疾病的治疗剂。在该式中，R1代表卤素原子、氢原子、可能具有取代基的低碳基、甲酰基或可能具有取代基的低碳基酰基，R2代表可能具有取代基的双环烃基或双环杂环基，R3代表氢原子、可能具有取代基的低碳基、可能具有取代基的芳基或酰基。
• NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT
  申请人：Kawashima Kenji

  公开号：US20110136794A1

  公开（公告）日：2011-06-09

  A compound represented by the following formula (1) or a salt thereof: The compound has an inhibitory activity on the production of interleukin-6, and is therefore useful as a preventive and/or therapeutic agent for a disease associated with interleukin-6, ocular inflammatory diseases and the like. In the formula, R 1 represents a halogen atom, a hydrogen atom, a lower alkyl group which may have a substituent, a formyl group, or a lower alkylcarbonyl group which may have a substituent, R 2 represents a bicyclic hydrocarbon group which may have a substituent or a bicyclic heterocyclic group which may have a substituent, R 3 represents a hydrogen atom, a lower alkyl group which may have a substituent, an aryl group which may have a substituent, or an acyl group.

  以下式子（1）所表示的化合物或其盐：该化合物具有抑制白细胞介素-6产生的活性，因此可用作预防和/或治疗与白细胞介素-6有关的疾病，如眼部炎症性疾病等的药物。在该式中，R1表示卤素原子、氢原子、可能具有取代基的较低烷基、甲酰基或可能具有取代基的较低烷基羰基基团，R2表示可能具有取代基的双环烃基团或双环杂环基团，R3表示氢原子、可能具有取代基的较低烷基、可能具有取代基的芳基或酰基基团。
• NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDE GROUP, AMINOCARBONYL GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT
  申请人：Santen Pharmaceutical Co., Ltd

  公开号：EP2319831A1

  公开（公告）日：2011-05-11

  Disclose is a novel pyrrole derivative having, as substituents, a ureido group, an aminocarbonyl group and a bicyclic group which may have a substituent, or a salt of the derivative. A compound represented by general formula (1) or a salt thereof has an inhibitory activity on the production of interleukin-6, and is therefore useful as a preventive and/or therapeutic agent for a disease associated with interleukin-6, ocular inflammatory diseases and the like. In the formula, R1 represents a halogen atom, a hydrogen atom, a lower alkyl group which may have a substituent, a formyl group, or a lower alkylcarbonyl group which may have a substituent, R2 represents a bicyclic hydrocarbon group which may have a substituent or a bicyclic heterocyclic group which may have a substituent, R3 represents a hydrogen atom, a lower alkyl group which may have a substituent, an aryl group which may have a substituent, or an acyl group.

  本发明公开了一种新型吡咯衍生物，该衍生物具有脲基、氨基羰基和可具有取代基的双环基，或该衍生物的盐。通式（1）所代表的化合物或其盐具有抑制白细胞介素-6 生成的活性，因此可作为白细胞介素-6 相关疾病、眼部炎症等的预防和/或治疗剂。式中，R1 代表卤素原子、氢原子、可能具有取代基的低级烷基、甲酰基或可能具有取代基的低级烷基羰基，R2 代表可能具有取代基的双环烃基或可能具有取代基的双环杂环基，R3 代表氢原子、可能具有取代基的低级烷基、可能具有取代基的芳基或酰基。
• [EN] MACROLIDE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF<br/>[FR] DÉRIVÉS DE MACROLIDES, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR APPLICATION<br/>[ZH] 大环类衍生物、及其制备方法和用途
  申请人：ZHEJIANG HISUN PHARM CO LTD

  公开号：WO2020233645A1

  公开（公告）日：2020-11-26

  式(I)所示的大环类衍生物、其制备方法及其作为TRK、ALK、ROS1中的一种或多种蛋白激酶抑制剂的用途。
• US8088817B2
  申请人：——

  公开号：US8088817B2

  公开（公告）日：2012-01-03